N'-(2-bromophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-(2-bromophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(2-bromobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(2-bromophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(2-bromobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(2-bromobenzoyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3Br)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC=CC=C3Br)NC1=O

InChI

InChI=1S/C17H14BrN3O3S/c18-12-4-2-1-3-11(12)17(24)21-20-16(23)10-5-6-14-13(9-10)19-15(22)7-8-25-14/h1-6,9H,7-8H2,(H,19,22)(H,20,23)(H,21,24)