N-(2,4-dimethoxyphenyl)-3-methyl-5-oxidanylidene-4-(pyridin-3-ylmethyl)-2H-1,4-benzothiazepine-3-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-methyl-5-oxidanylidene-4-(pyridin-3-ylmethyl)-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4-(3-pyridylmethyl)-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4-(3-pyridinylmethyl)-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4-(pyridin-3-ylmethyl)-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-5-keto-3-methyl-4-(3-pyridylmethyl)-2H-1,4-benzothiazepine-3-carboxamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H25N3O4S/c1-25(24(30)27-20-11-10-18(31-2)13-21(20)32-3)16-33-22-9-5-4-8-19(22)23(29)28(25)15-17-7-6-12-26-14-17/h4-14H,15-16H2,1-3H3,(H,27,30)