N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]butanamide

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]butanamide Openeye Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]butanamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]butanamide Traditional Name: N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]butyramide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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