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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C15H12ClFN2O2S/c16-12-7-11(5-6-13(12)17)19-15(22)18-8-9-1-3-10(4-2-9)14(20)21/h1-7H,8H2,(H,20,21)(H2,18,19,22)