3-nitro-N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-nitro-N-(3-oxidanylidenepiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide CAS Name: 3-nitro-N-[(3-oxo-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide Traditional Name: N-(3-ketopiperazine-1-carbothioyl)-3-nitro-benzamide Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c17-10-7-15(5-4-13-10)12(21)14-11(18)8-2-1-3-9(6-8)16(19)20/h1-3,6H,4-5,7H2,(H,13,17)(H,14,18,21)