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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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