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

Systemtic Name: N-(3,5-dimethylphenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(3,5-dimethylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S/c1-13-9-14(2)11-16(10-13)23-21(25)15-7-8-20-18(12-15)24-22(26)17-5-3-4-6-19(17)27-20/h3-12H,1-2H3,(H,23,25)(H,24,26)