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

Systemtic Name: 4-cyano-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide Openeye Name: 4-cyano-N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)benzamide CAS Name: 4-cyano-N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)benzamide IUPAC Name: 4-cyano-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)benzamide Traditional Name: 4-cyano-N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)benzamide Formula: C22H15N3O2S MolecularWeight: 385.4384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H15N3O2S/c1-25-18-12-16(24-21(26)15-8-6-14(13-23)7-9-15)10-11-20(18)28-19-5-3-2-4-17(19)22(25)27/h2-12H,1H3,(H,24,26)