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

Systemtic Name: N-(3-methylbutyl)-4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Openeye Name: N-isopentyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide CAS Name: N-(3-methylbutyl)-4-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)butanamide IUPAC Name: N-(3-methylbutyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Traditional Name: N-isoamyl-4-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

Isomeric SMILES

CC(C)CCNC(=O)CCCN1C2=C(N=CC=C2)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C21H25N3O2S/c1-15(2)11-13-22-19(25)10-6-14-24-17-8-5-12-23-20(17)27-18-9-4-3-7-16(18)21(24)26/h3-5,7-9,12,15H,6,10-11,13-14H2,1-2H3,(H,22,25)