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

Systemtic Name: N-(4-dimethylaminophenyl)-3-methyl-4-[(4-methylphenyl)methyl]-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxo-4-(p-tolylmethyl)-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(4-dimethylaminophenyl)-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: N-(4-dimethylaminophenyl)-3-methyl-4-[(4-methylphenyl)methyl]-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: N-(4-dimethylaminophenyl)-5-keto-3-methyl-4-(4-methylbenzyl)-2H-1,4-benzothiazepine-3-carboxamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3SCC2(C)C(=O)NC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3SCC2(C)C(=O)NC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C27H29N3O2S/c1-19-9-11-20(12-10-19)17-30-25(31)23-7-5-6-8-24(23)33-18-27(30,2)26(32)28-21-13-15-22(16-14-21)29(3)4/h5-16H,17-18H2,1-4H3,(H,28,32)