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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyramide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4)C

InChI

InChI=1S/C25H25N3O2S/c1-3-18-10-6-9-17(2)23(18)27-22(29)14-8-16-28-20-12-4-5-13-21(20)31-24-19(25(28)30)11-7-15-26-24/h4-7,9-13,15H,3,8,14,16H2,1-2H3,(H,27,29)