-ISIS-  08251613552D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.7292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2042    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4667    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3250    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1875    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0583    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13 16  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 10 12  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <ID> (STL072027)
STL072027

>  <Rotatable_Bonds> (STL072027)
4

>  <logP> (STL072027)
4.492

>  <PSA> (STL072027)
54.4

>  <H_Donors> (STL072027)
1

>  <H_Acceptors> (STL072027)
1

>  <Number_of_rings> (STL072027)
2

>  <NAME> (STL072027)
N-butyl-4-{[(4-methylphenyl)sulfanyl]methyl}benzamide

>  <Mol_Weight> (STL072027)
313.46

>  <Mol_Formula> (STL072027)
C19H23NOS

>  <Smiles> (STL072027)
CCCCNC(=O)c1ccc(cc1)CSc1ccc(cc1)C

$$$$