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

Systemtic Name: N'-(3-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[(3-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: 4-keto-N'-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C17H14N4O5S/c22-15-6-7-27-14-5-4-11(9-13(14)18-15)17(24)20-19-16(23)10-2-1-3-12(8-10)21(25)26/h1-5,8-9H,6-7H2,(H,18,22)(H,19,23)(H,20,24)