3-nitro-N-[(propanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(propanoylamino)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(propanoylamino)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(1-oxopropylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(propanoylamino)carbamothioyl]benzamide Traditional Name: 3-nitro-N-(propionamidothiocarbamoyl)benzamide Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S/c1-2-9(16)13-14-11(20)12-10(17)7-4-3-5-8(6-7)15(18)19/h3-6H,2H2,1H3,(H,13,16)(H2,12,14,17,20)