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

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-methyl-5-oxidanylidene-4-(phenylmethyl)-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 4-benzyl-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-4-(phenylmethyl)-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 4-benzyl-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: 4-benzyl-N-(2,4-dimethoxyphenyl)-5-keto-3-methyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-26(25(30)27-21-14-13-19(31-2)15-22(21)32-3)17-33-23-12-8-7-11-20(23)24(29)28(26)16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,27,30)