methyl N-[(3-nitrophenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(3-nitrophenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-nitrobenzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-nitrobenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3-nitrobenzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C10H10N4O5S MolecularWeight: 298.2752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O5S/c1-19-10(16)13-12-9(20)11-8(15)6-3-2-4-7(5-6)14(17)18/h2-5H,1H3,(H,13,16)(H2,11,12,15,20)