-ISIS-  08251614012D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.5125   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500   -1.2125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3875    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9500   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8042   -1.7292    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1833    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458    0.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2375   -1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1833    1.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667    2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4875    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1083    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8292    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   -2.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8292    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 22  1  0  0  0  0
 15  5  2  0  0  0  0
 16 14  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  2  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 12  1  0  0  0  0
 23  8  2  0  0  0  0
 24  4  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 27  2  0  0  0  0
  4  9  2  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2   5   1  13  -1
M  END
>  <ID> (STK810795)
STK810795

>  <Rotatable_Bonds> (STK810795)
4

>  <logP> (STK810795)
5.35

>  <PSA> (STK810795)
145.4

>  <H_Donors> (STK810795)
2

>  <H_Acceptors> (STK810795)
5

>  <Number_of_rings> (STK810795)
4

>  <NAME> (STK810795)
N-(furan-2-ylmethyl)-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <Mol_Weight> (STK810795)
425.47

>  <Mol_Formula> (STK810795)
C21H19N3O5S

>  <Smiles> (STK810795)
O=C(c1c(sc2c1CCCC2)NC(=O)c1ccccc1[N+](=O)[O-])NCc1ccco1

$$$$