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

Systemtic Name: 3-methyl-N-(4-morpholin-4-ylphenyl)-4-(3-morpholin-4-ylpropyl)-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 3-methyl-N-(4-morpholinophenyl)-4-(3-morpholinopropyl)-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: 3-methyl-N-[4-(4-morpholinyl)phenyl]-4-[3-(4-morpholinyl)propyl]-5-oxo-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 3-methyl-N-(4-morpholin-4-ylphenyl)-4-(3-morpholin-4-ylpropyl)-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: 5-keto-3-methyl-N-(4-morpholinophenyl)-4-(3-morpholinopropyl)-2H-1,4-benzothiazepine-3-carboxamide Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CCCN3CCOCC3)C(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CCCN3CCOCC3)C(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C28H36N4O4S/c1-28(27(34)29-22-7-9-23(10-8-22)31-15-19-36-20-16-31)21-37-25-6-3-2-5-24(25)26(33)32(28)12-4-11-30-13-17-35-18-14-30/h2-3,5-10H,4,11-21H2,1H3,(H,29,34)