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

Systemtic Name: methyl 4-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O5S/c1-25-15(22)9-2-5-11(6-3-9)18-16(26)19-14(21)10-4-7-12(17)13(8-10)20(23)24/h2-8H,1H3,(H2,18,19,21,26)