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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

InChI

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