N-(2-methylphenyl)-4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide

Systemtic Name: N-(2-methylphenyl)-4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Openeye Name: N-(o-tolyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide CAS Name: N-(2-methylphenyl)-4-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)butanamide IUPAC Name: N-(2-methylphenyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Traditional Name: 4-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(o-tolyl)butyramide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C23H21N3O2S/c1-16-8-2-4-10-18(16)25-21(27)13-7-15-26-19-11-6-14-24-22(19)29-20-12-5-3-9-17(20)23(26)28/h2-6,8-12,14H,7,13,15H2,1H3,(H,25,27)