2-[4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]ethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O2S/c17-16(18,19)12-3-1-2-4-13(12)21-15(24)20-11-7-5-10(6-8-11)9-14(22)23/h1-8H,9H2,(H,22,23)(H2,20,21,24)