6-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(4-butylanilino)-2-oxoethyl]thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(4-butylanilino)-2-keto-ethyl]thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C33H34N4O3S MolecularWeight: 566.71306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C33H34N4O3S/c1-4-5-11-23-16-18-25(19-17-23)36-29(38)21-41-33-26(20-34)31(24-12-7-6-8-13-24)30(22(2)35-33)32(39)37-27-14-9-10-15-28(27)40-3/h6-10,12-19,31,35H,4-5,11,21H2,1-3H3,(H,36,38)(H,37,39)