N'-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(4-bromo-1H-pyrrole-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(4-bromo-1H-pyrrole-2-carbonyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(4-bromo-1H-pyrrole-2-carbonyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C15H13BrN4O3S MolecularWeight: 409.25772

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CN3)Br)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CN3)Br)NC1=O

InChI

InChI=1S/C15H13BrN4O3S/c16-9-6-11(17-7-9)15(23)20-19-14(22)8-1-2-12-10(5-8)18-13(21)3-4-24-12/h1-2,5-7,17H,3-4H2,(H,18,21)(H,19,22)(H,20,23)