methyl 2-chloranyl-5-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-chloro-5-[(3-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[(3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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