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

Systemtic Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,4-benzothiazepine-3-carboxamide CAS Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: N-(4-dimethylaminophenyl)-3-methyl-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: N-(4-dimethylaminophenyl)-5-keto-3-methyl-4-[4-(trifluoromethyl)benzyl]-2H-1,4-benzothiazepine-3-carboxamide Formula: C27H26F3N3O2S MolecularWeight: 513.57445

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26F3N3O2S/c1-26(25(35)31-20-12-14-21(15-13-20)32(2)3)17-36-23-7-5-4-6-22(23)24(34)33(26)16-18-8-10-19(11-9-18)27(28,29)30/h4-15H,16-17H2,1-3H3,(H,31,35)