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

Systemtic Name: 4-cyano-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide Openeye Name: 4-cyano-N-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)benzamide CAS Name: 4-cyano-N-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)benzamide IUPAC Name: 4-cyano-N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)benzamide Traditional Name: 4-cyano-N-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)benzamide Formula: C23H17N3O2S MolecularWeight: 399.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H17N3O2S/c1-2-26-19-13-17(25-22(27)16-9-7-15(14-24)8-10-16)11-12-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-13H,2H2,1H3,(H,25,27)