
 2-benzylsulfanyl-N-(2-phenylphenyl)propanamide

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.8083    0.5370   -0.1729 C   0  0  0  0  0
    2.8207   -0.2625   -1.0124 C   0  0  0  0  0
    3.5167   -1.1214   -2.0737 C   0  0  0  0  0
    3.2219   -0.9706   -3.2575 O   0  0  0  0  0
    4.4051   -2.0536   -1.5579 N   0  0  0  0  0
    5.1195   -3.0646   -2.2514 C   0  0  0  0  0
    5.0719   -3.1590   -3.6519 C   0  0  0  0  0
    5.7976   -4.1305   -4.3433 C   0  0  0  0  0
    6.5848   -5.0323   -3.6467 C   0  0  0  0  0
    6.6341   -4.9676   -2.2558 C   0  0  0  0  0
    5.9117   -3.9954   -1.5232 C   0  0  0  0  0
    6.0277   -4.0314   -0.0426 C   0  0  0  0  0
    7.2938   -4.0738    0.5737 C   0  0  0  0  0
    7.4273   -4.1772    1.9609 C   0  0  0  0  0
    6.2940   -4.2172    2.7665 C   0  0  0  0  0
    5.0303   -4.1697    2.1831 C   0  0  0  0  0
    4.8990   -4.0967    0.7919 C   0  0  0  0  0
    1.7746   -1.3197    0.0621 S   0  0  0  0  0
    0.6004   -1.9219   -1.2034 C   0  0  0  0  0
   -0.4651   -2.8083   -0.6071 C   0  0  0  0  0
   -1.4610   -2.2732    0.2244 C   0  0  0  0  0
   -2.4533   -3.0939    0.7634 C   0  0  0  0  0
   -2.4662   -4.4564    0.4727 C   0  0  0  0  0
   -1.4856   -5.0002   -0.3545 C   0  0  0  0  0
   -0.4890   -4.1821   -0.8901 C   0  0  0  0  0
    4.4299   -0.0975    0.4679 H   0  0  0  0  0
    3.2849    1.2554    0.4676 H   0  0  0  0  0
    4.4861    1.1045   -0.8208 H   0  0  0  0  0
    2.1633    0.4461   -1.5311 H   0  0  0  0  0
    4.5090   -2.0537   -0.5502 H   0  0  0  0  0
    4.4790   -2.4776   -4.2523 H   0  0  0  0  0
    5.7433   -4.1735   -5.4282 H   0  0  0  0  0
    7.1545   -5.7884   -4.1795 H   0  0  0  0  0
    7.2431   -5.7022   -1.7311 H   0  0  0  0  0
    8.1985   -4.0415   -0.0320 H   0  0  0  0  0
    8.4168   -4.2325    2.4090 H   0  0  0  0  0
    6.3947   -4.2966    3.8457 H   0  0  0  0  0
    4.1420   -4.2074    2.8094 H   0  0  0  0  0
    3.8972   -4.1093    0.3664 H   0  0  0  0  0
    1.1528   -2.4776   -1.9683 H   0  0  0  0  0
    0.1210   -1.0689   -1.6963 H   0  0  0  0  0
   -1.4643   -1.2113    0.4611 H   0  0  0  0  0
   -3.2158   -2.6689    1.4107 H   0  0  0  0  0
   -3.2400   -5.0944    0.8913 H   0  0  0  0  0
   -1.4968   -6.0628   -0.5836 H   0  0  0  0  0
    0.2673   -4.6255   -1.5348 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 18  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
M  END

>  <Chemical Name>
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide

>  <PubChem CID>
2942740

>  <Formula>
C22H21NOS

>  <Molecular Weight>
347.476000

>  <IUPAC Name>
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide

>  <XlogP>
4.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SCC3=CC=CC=C3

>  <Isomeric SMILES>
CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H21NOS/c1-17(25-16-18-10-4-2-5-11-18)22(24)23-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)

>  <InChI Key>
ACAYCMLVJGOTJK-UHFFFAOYSA-N

