2-(3-morpholin-4-ylcarbonyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-5-yl)-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(3-morpholin-4-ylcarbonyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-5-yl)-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[3-(morpholine-4-carbonyl)-6-oxo-benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: 2-[3-[4-morpholinyl(oxo)methyl]-6-oxo-5-benzo[b][1,4]benzothiazepinyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[3-(morpholine-4-carbonyl)-6-oxobenzo[b][1,4]benzothiazepin-5-yl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[6-keto-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-p-cumenyl-acetamide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C29H29N3O4S/c1-19(2)20-7-10-22(11-8-20)30-27(33)18-32-24-17-21(28(34)31-13-15-36-16-14-31)9-12-26(24)37-25-6-4-3-5-23(25)29(32)35/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,33)