-ISIS-  04261722012D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.3625    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4042   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2750   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.1083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -1.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5208    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.1000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5417    1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5167    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 20  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21  8  2  0  0  0  0
 22 21  1  0  0  0  0
 23 15  1  0  0  0  0
 24 15  1  0  0  0  0
  4  5  1  0  0  0  0
 23 22  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <ID> (STL503208)
STL503208

>  <Rotatable_Bonds> (STL503208)
1

>  <logP> (STL503208)
5.564

>  <PSA> (STL503208)
94.77

>  <H_Donors> (STL503208)
0

>  <H_Acceptors> (STL503208)
2

>  <Number_of_rings> (STL503208)
3

>  <Compound_Names> (STL503208)
(5E)-5-(4-iodobenzylidene)-3-[(3-methylphenyl)carbonyl]-2-thioxo-1,3-thiazolidin-4-one

>  <Mol_Weight> (STL503208)
465.34

>  <Mol_Formula> (STL503208)
C18H12INO2S2

>  <Smiles> (STL503208)
Ic1ccc(cc1)/C=C\1/SC(=S)N(C1=O)C(=O)c1cccc(c1)C

$$$$