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

Systemtic Name: 4-chloranyl-N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide Openeye Name: 4-chloro-N-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)benzamide CAS Name: 4-chloro-N-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)benzamide IUPAC Name: 4-chloro-N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)benzamide Traditional Name: 4-chloro-N-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)benzamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O2S/c1-2-25-18-13-16(24-21(26)14-7-9-15(23)10-8-14)11-12-20(18)28-19-6-4-3-5-17(19)22(25)27/h3-13H,2H2,1H3,(H,24,26)