N-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O2S/c1-10-8-12(3-4-13(10)18)19-17(22)11-2-5-15-14(9-11)20-16(21)6-7-23-15/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,21)