4-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-morpholin-4-ylphenyl)-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-morpholin-4-ylphenyl)-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-morpholinophenyl)-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: 4-[(4-methoxyphenyl)methyl]-3-methyl-N-[4-(4-morpholinyl)phenyl]-5-oxo-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-3-methyl-N-(4-morpholin-4-ylphenyl)-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: 5-keto-3-methyl-N-(4-morpholinophenyl)-4-p-anisyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC)C(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C29H31N3O4S/c1-29(28(34)30-22-9-11-23(12-10-22)31-15-17-36-18-16-31)20-37-26-6-4-3-5-25(26)27(33)32(29)19-21-7-13-24(35-2)14-8-21/h3-14H,15-20H2,1-2H3,(H,30,34)