1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide CAS Name: 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[2-(phenylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: 1-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-N-[2-(phenylthio)phenyl]nipecotamide Formula: C33H28ClN3O2S MolecularWeight: 566.11232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5SC6=CC=CC=C6

Isomeric SMILES

C1CC(CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5SC6=CC=CC=C6

InChI

InChI=1S/C33H28ClN3O2S/c34-24-17-18-27-26(20-24)30(22-10-3-1-4-11-22)31(33(39)35-27)37-19-9-12-23(21-37)32(38)36-28-15-7-8-16-29(28)40-25-13-5-2-6-14-25/h1-8,10-11,13-18,20,23H,9,12,19,21H2,(H,35,39)(H,36,38)