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

Systemtic Name: 3-nitro-N-[(pentanoylamino)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(pentanoylamino)carbamothioyl]benzamide CAS Name: 3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[(pentanoylamino)carbamothioyl]benzamide Traditional Name: 3-nitro-N-[(valerylamino)thiocarbamoyl]benzamide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-2-3-7-11(18)15-16-13(22)14-12(19)9-5-4-6-10(8-9)17(20)21/h4-6,8H,2-3,7H2,1H3,(H,15,18)(H2,14,16,19,22)