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

Systemtic Name: 6-[2-[(3-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(3-butoxyanilino)-2-oxo-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(3-butoxyanilino)-2-oxoethyl]thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(3-butoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(3-butoxyanilino)-2-keto-ethyl]thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C33H34N4O4S MolecularWeight: 582.71246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=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/C33H34N4O4S/c1-4-5-18-41-25-15-11-14-24(19-25)36-29(38)21-42-33-26(20-34)31(23-12-7-6-8-13-23)30(22(2)35-33)32(39)37-27-16-9-10-17-28(27)40-3/h6-17,19,31,35H,4-5,18,21H2,1-3H3,(H,36,38)(H,37,39)