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

Systemtic Name: methyl 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(3-chloro-4-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=C1)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

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

InChI

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