2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-phenyl-acetamide Formula: C31H27N3O2S MolecularWeight: 505.62998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O2S/c32-19-27-30(23-15-17-25(18-16-23)36-20-22-9-3-1-4-10-22)26-13-7-8-14-28(26)34-31(27)37-21-29(35)33-24-11-5-2-6-12-24/h1-6,9-12,15-18H,7-8,13-14,20-21H2,(H,33,35)