4-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid Formula: C16H13F3N2O2S MolecularWeight: 354.34683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H13F3N2O2S/c1-9-6-7-10(14(22)23)8-13(9)21-15(24)20-12-5-3-2-4-11(12)16(17,18)19/h2-8H,1H3,(H,22,23)(H2,20,21,24)