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

Systemtic Name: 6-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(3-bromoanilino)-2-oxoethyl]thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C29H25BrN4O3S MolecularWeight: 589.5028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Br)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)Br)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C29H25BrN4O3S/c1-18-26(28(36)34-23-13-6-7-14-24(23)37-2)27(19-9-4-3-5-10-19)22(16-31)29(32-18)38-17-25(35)33-21-12-8-11-20(30)15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)