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

Systemtic Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxidanylidene-4-(phenylmethyl)-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 4-benzyl-N-(4-dimethylaminophenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxo-4-(phenylmethyl)-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 4-benzyl-N-(4-dimethylaminophenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: 4-benzyl-N-(4-dimethylaminophenyl)-5-keto-3-methyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-26(25(31)27-20-13-15-21(16-14-20)28(2)3)18-32-23-12-8-7-11-22(23)24(30)29(26)17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,27,31)