N-[(butanoylamino)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(butanoylamino)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(butanoylamino)carbamothioyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-4-nitrobenzamide Traditional Name: N-(butyramidothiocarbamoyl)-4-nitro-benzamide Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4S/c1-2-3-10(17)14-15-12(21)13-11(18)8-4-6-9(7-5-8)16(19)20/h4-7H,2-3H2,1H3,(H,14,17)(H2,13,15,18,21)