(4R)-3-cyano-6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide

Systemtic Name: (4R)-3-cyano-6-methyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide Openeye Name: (4R)-3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxamide CAS Name: (4R)-3-cyano-6-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide IUPAC Name: (4R)-3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide Traditional Name: (4R)-3-cyano-2-[[2-keto-2-(m-toluidino)ethyl]thio]-6-methyl-N-phenyl-4-(2-thienyl)-3,4-dihydropyridine-5-carboxamide Formula: C27H24N4O2S2 MolecularWeight: 500.63506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(C2C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C([C@@H](C2C#N)C3=CC=CS3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4O2S2/c1-17-8-6-11-20(14-17)30-23(32)16-35-27-21(15-28)25(22-12-7-13-34-22)24(18(2)29-27)26(33)31-19-9-4-3-5-10-19/h3-14,21,25H,16H2,1-2H3,(H,30,32)(H,31,33)/t21?,25-/m0/s1