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

Systemtic Name: N-(2-ethylphenyl)-4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Openeye Name: N-(2-ethylphenyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide CAS Name: N-(2-ethylphenyl)-4-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)butanamide IUPAC Name: N-(2-ethylphenyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Traditional Name: N-(2-ethylphenyl)-4-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)butyramide Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C24H23N3O2S/c1-2-17-9-3-5-11-19(17)26-22(28)14-8-16-27-20-12-7-15-25-23(20)30-21-13-6-4-10-18(21)24(27)29/h3-7,9-13,15H,2,8,14,16H2,1H3,(H,26,28)