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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyramide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-15-14-16(10-11-18(15)24)26-21(28)9-5-13-27-19-7-2-3-8-20(19)30-22-17(23(27)29)6-4-12-25-22/h2-4,6-8,10-12,14H,5,9,13H2,1H3,(H,26,28)