-ISIS-  08251613402D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.6333    1.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    0.4583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    1.2750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250   -0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3792    3.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208   -0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4458   -3.0292    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  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
  4  5  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <ID> (STK991865)
STK991865

>  <Rotatable_Bonds> (STK991865)
2

>  <logP> (STK991865)
1.383

>  <PSA> (STK991865)
107.35

>  <H_Donors> (STK991865)
3

>  <H_Acceptors> (STK991865)
2

>  <Number_of_rings> (STK991865)
2

>  <NAME> (STK991865)
N-(2,5-dimethylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

>  <Mol_Weight> (STK991865)
277.35

>  <Mol_Formula> (STK991865)
C13H15N3O2S

>  <Smiles> (STK991865)
Cc1ccc(cc1NC(=O)CC1SC(=N)NC1=O)C

$$$$