2-methyl-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]propanamide

Systemtic Name: 2-methyl-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]propanamide Openeye Name: 2-methyl-N-[[(4-nitrobenzoyl)amino]carbamothioyl]propanamide CAS Name: 2-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[[(4-nitrobenzoyl)amino]carbamothioyl]propanamide Traditional Name: 2-methyl-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]propionamide Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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