6-(4-bromophenyl)-N'-(phenylcarbonyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide

Systemtic Name: 6-(4-bromophenyl)-N'-(phenylcarbonyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Openeye Name: N'-benzoyl-6-(4-bromophenyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide CAS Name: N'-benzoyl-6-(4-bromophenyl)-3-benzo[b][1,4]benzothiazepinecarbohydrazide IUPAC Name: N'-benzoyl-6-(4-bromophenyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Traditional Name: N'-benzoyl-6-(4-bromophenyl)benzo[b][1,4]benzothiazepine-3-carbohydrazide Formula: C27H18BrN3O2S MolecularWeight: 528.41972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H18BrN3O2S/c28-20-13-10-17(11-14-20)25-21-8-4-5-9-23(21)34-24-15-12-19(16-22(24)29-25)27(33)31-30-26(32)18-6-2-1-3-7-18/h1-16H,(H,30,32)(H,31,33)