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

Systemtic Name: N-[(butanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(butanoylamino)carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-3-nitrobenzamide Traditional Name: N-(butyramidothiocarbamoyl)-3-nitro-benzamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-2-4-10(17)14-15-12(21)13-11(18)8-5-3-6-9(7-8)16(19)20/h3,5-7H,2,4H2,1H3,(H,14,17)(H2,13,15,18,21)