(3R)-N-(4-chlorophenyl)-2-(3-phenylsulfanylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-chlorophenyl)-2-(3-phenylsulfanylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-chlorophenyl)-2-(3-phenylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-chlorophenyl)-2-[oxo-[3-(phenylthio)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-chlorophenyl)-2-(3-phenylsulfanylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-chlorophenyl)-2-[3-(phenylthio)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H23ClN2O2S MolecularWeight: 499.02312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)SC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)SC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H23ClN2O2S/c30-23-13-15-24(16-14-23)31-28(33)27-18-20-7-4-5-8-22(20)19-32(27)29(34)21-9-6-12-26(17-21)35-25-10-2-1-3-11-25/h1-17,27H,18-19H2,(H,31,33)/t27-/m1/s1