(4S)-3-cyano-6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide

Systemtic Name: (4S)-3-cyano-6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide Openeye Name: (4S)-3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide CAS Name: (4S)-3-cyano-6-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide IUPAC Name: (4S)-3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide Traditional Name: (4S)-3-cyano-2-[[2-keto-2-(m-toluidino)ethyl]thio]-6-methyl-N,4-diphenyl-3,4-dihydropyridine-5-carboxamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(C2C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C([C@@H](C2C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C29H26N4O2S/c1-19-10-9-15-23(16-19)32-25(34)18-36-29-24(17-30)27(21-11-5-3-6-12-21)26(20(2)31-29)28(35)33-22-13-7-4-8-14-22/h3-16,24,27H,18H2,1-2H3,(H,32,34)(H,33,35)/t24?,27-/m1/s1