4-cyano-N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide

Systemtic Name: 4-cyano-N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide Openeye Name: 4-cyano-N-(5-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)benzamide CAS Name: 4-cyano-N-(5-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)benzamide IUPAC Name: 4-cyano-N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)benzamide Traditional Name: 4-cyano-N-(5-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)benzamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C#N)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1CCC(C1)N2C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C#N)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H21N3O2S/c27-16-17-9-11-18(12-10-17)25(30)28-19-13-14-24-22(15-19)29(20-5-1-2-6-20)26(31)21-7-3-4-8-23(21)32-24/h3-4,7-15,20H,1-2,5-6H2,(H,28,30)