-ISIS-  04261722012D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.4333    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.7583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    3.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -3.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <ID> (STL503804)
STL503804

>  <Rotatable_Bonds> (STL503804)
2

>  <logP> (STL503804)
3.436

>  <PSA> (STL503804)
82.45

>  <H_Donors> (STL503804)
2

>  <H_Acceptors> (STL503804)
2

>  <Number_of_rings> (STL503804)
2

>  <Compound_Names> (STL503804)
methyl 2-[(phenylcarbamothioyl)amino]benzoate

>  <Mol_Weight> (STL503804)
286.35

>  <Mol_Formula> (STL503804)
C15H14N2O2S

>  <Smiles> (STL503804)
COC(=O)c1ccccc1NC(=S)Nc1ccccc1

$$$$