4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid CAS Name: 4-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid IUPAC Name: 4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid Formula: C15H11F3N2O2S MolecularWeight: 340.32025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N2O2S/c16-15(17,18)10-2-1-3-12(8-10)20-14(23)19-11-6-4-9(5-7-11)13(21)22/h1-8H,(H,21,22)(H2,19,20,23)