methyl N-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C10H9ClN4O5S MolecularWeight: 332.72026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClN4O5S/c1-20-10(17)14-13-9(21)12-8(16)5-2-3-6(11)7(4-5)15(18)19/h2-4H,1H3,(H,14,17)(H2,12,13,16,21)