methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-chloro-4-fluoro-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-fluorophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C16H12ClFN2O3S MolecularWeight: 366.794483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H12ClFN2O3S/c1-23-15(22)10-4-2-3-9(7-10)14(21)20-16(24)19-11-5-6-13(18)12(17)8-11/h2-8H,1H3,(H2,19,20,21,24)