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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

InChI

InChI=1S/C31H27N3O2S/c1-21(30(35)33-26-13-15-28(16-14-26)36-27-10-6-3-7-11-27)37-31-25(20-32)19-24-18-23(12-17-29(24)34-31)22-8-4-2-5-9-22/h2-11,13-16,19,21,23H,12,17-18H2,1H3,(H,33,35)