2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: 2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-p-cumenyl-acetamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C23H21N3O2S/c1-15(2)16-9-11-17(12-10-16)25-21(27)14-26-19-7-5-13-24-22(19)29-20-8-4-3-6-18(20)23(26)28/h3-13,15H,14H2,1-2H3,(H,25,27)