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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H15BrN2O2S MolecularWeight: 439.325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O2S/c1-12-10-14(7-8-16(12)22)23-20(25)13-6-9-19-17(11-13)24-21(26)15-4-2-3-5-18(15)27-19/h2-11H,1H3,(H,23,25)(H,24,26)