methyl N-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3,5-dinitrobenzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3,5-dinitrobenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3,5-dinitrobenzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C10H9N5O7S MolecularWeight: 343.27276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N5O7S/c1-22-10(17)13-12-9(23)11-8(16)5-2-6(14(18)19)4-7(3-5)15(20)21/h2-4H,1H3,(H,13,17)(H2,11,12,16,23)