methyl 3-[(2-fluoranyl-5-nitro-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2-fluoranyl-5-nitro-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2-fluoro-5-nitro-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-fluoro-5-nitrophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2-fluoro-5-nitro-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H12FN3O5S MolecularWeight: 377.346983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C16H12FN3O5S/c1-25-15(22)10-4-2-3-9(7-10)14(21)19-16(26)18-13-8-11(20(23)24)5-6-12(13)17/h2-8H,1H3,(H2,18,19,21,26)