6-oxidanylidene-N-(4-propan-2-ylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N-(4-propan-2-ylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(4-isopropylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(4-propan-2-ylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(4-propan-2-ylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-p-cumenyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S/c1-14(2)15-7-10-17(11-8-15)24-22(26)16-9-12-21-19(13-16)25-23(27)18-5-3-4-6-20(18)28-21/h3-14H,1-2H3,(H,24,26)(H,25,27)