N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H17ClN2O3S/c1-12-9-16(18(28-2)11-15(12)23)24-21(26)13-7-8-20-17(10-13)25-22(27)14-5-3-4-6-19(14)29-20/h3-11H,1-2H3,(H,24,26)(H,25,27)