3-methyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[(3-nitrobenzoyl)amino]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[(3-nitrobenzoyl)amino]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]butyramide Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4S/c1-8(2)6-11(18)14-13(22)16-15-12(19)9-4-3-5-10(7-9)17(20)21/h3-5,7-8H,6H2,1-2H3,(H,15,19)(H2,14,16,18,22)