methyl 2-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 2-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(4-chloro-3-fluoro-phenyl)carbamothioylamino]benzoate CAS Name: 2-[[(4-chloro-3-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-chloro-3-fluoro-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H12ClFN2O2S MolecularWeight: 338.784383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C15H12ClFN2O2S/c1-21-14(20)10-4-2-3-5-13(10)19-15(22)18-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H2,18,19,22)