4-[[carbamothioyl-[4-(trifluoromethyloxy)phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[carbamothioyl-[4-(trifluoromethyloxy)phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[N-carbamothioyl-4-(trifluoromethoxy)anilino]methyl]benzoic acid CAS Name: 4-[[N-carbamothioyl-4-(trifluoromethoxy)anilino]methyl]benzoic acid IUPAC Name: 4-[[N-carbamothioyl-4-(trifluoromethoxy)anilino]methyl]benzoic acid Traditional Name: 4-[[N-thiocarbamoyl-4-(trifluoromethoxy)anilino]methyl]benzoic acid Formula: C16H13F3N2O3S MolecularWeight: 370.34623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)OC(F)(F)F)C(=S)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)OC(F)(F)F)C(=S)N)C(=O)O

InChI

InChI=1S/C16H13F3N2O3S/c17-16(18,19)24-13-7-5-12(6-8-13)21(15(20)25)9-10-1-3-11(4-2-10)14(22)23/h1-8H,9H2,(H2,20,25)(H,22,23)