6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide Formula: C30H25N5O4S2 MolecularWeight: 583.6806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC(=C(C=C4)O)OC)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=NC3=CC=CC=C3S2)C#N)C4=CC(=C(C=C4)O)OC)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C30H25N5O4S2/c1-17-26(28(38)33-19-8-4-3-5-9-19)27(18-12-13-22(36)23(14-18)39-2)20(15-31)29(32-17)40-16-25(37)35-30-34-21-10-6-7-11-24(21)41-30/h3-14,27,32,36H,16H2,1-2H3,(H,33,38)(H,34,35,37)