N-(4-methylphenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(4-methylphenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-(p-tolyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-methylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(4-methylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(p-tolyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H16N2O2S/c1-13-6-9-15(10-7-13)22-20(24)14-8-11-19-17(12-14)23-21(25)16-4-2-3-5-18(16)26-19/h2-12H,1H3,(H,22,24)(H,23,25)