N-(4-ethanoylphenyl)-2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(4-acetylphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(4-acetylphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(4-acetylphenyl)-2-(4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-17(28)18-11-13-20(14-12-18)26-24(29)16-27-21-9-5-6-10-22(21)31-23(15-25(27)30)19-7-3-2-4-8-19/h2-14,23H,15-16H2,1H3,(H,26,29)