-ISIS-  08251613402D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.0875    0.7792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.0875   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208   -0.5375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3167   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.5417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    1.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    2.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292    3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9333   -2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9292   -3.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21 16  1  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 16 19  2  0  0  0  0
 13 12  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <ID> (STK995649)
STK995649

>  <Rotatable_Bonds> (STK995649)
2

>  <logP> (STK995649)
3.586

>  <PSA> (STK995649)
110.82

>  <H_Donors> (STK995649)
1

>  <H_Acceptors> (STK995649)
2

>  <Number_of_rings> (STK995649)
4

>  <NAME> (STK995649)
(5Z)-3-(4-hydroxyphenyl)-5-(quinolin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one

>  <Mol_Weight> (STK995649)
364.45

>  <Mol_Formula> (STK995649)
C19H12N2O2S2

>  <Smiles> (STK995649)
Oc1ccc(cc1)N1C(=S)S/C(=C\c2ccnc3c2cccc3)/C1=O

$$$$