-ISIS-  08251613552D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.5958    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7333   -1.4958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3250    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3292   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
 15 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <ID> (STL263875)
STL263875

>  <Rotatable_Bonds> (STL263875)
3

>  <logP> (STL263875)
3.978

>  <PSA> (STL263875)
54.4

>  <H_Donors> (STL263875)
1

>  <H_Acceptors> (STL263875)
1

>  <Number_of_rings> (STL263875)
2

>  <NAME> (STL263875)
N-(2,6-dichlorophenyl)-3-(phenylsulfanyl)propanamide

>  <Mol_Weight> (STL263875)
326.25

>  <Mol_Formula> (STL263875)
C15H13Cl2NOS

>  <Smiles> (STL263875)
O=C(Nc1c(Cl)cccc1Cl)CCSc1ccccc1

$$$$