4-[[[4-(trifluoromethyloxy)phenyl]sulfanylcarbamoylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(trifluoromethyloxy)phenyl]sulfanylcarbamoylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(trifluoromethoxy)phenyl]sulfanylcarbamoylamino]methyl]benzoic acid CAS Name: 4-[[[oxo-[[[4-(trifluoromethoxy)phenyl]thio]amino]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(trifluoromethoxy)phenyl]sulfanylcarbamoylamino]methyl]benzoic acid Traditional Name: 4-[[[[4-(trifluoromethoxy)phenyl]thio]carbamoylamino]methyl]benzoic acid Formula: C16H13F3N2O4S MolecularWeight: 386.34563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NSC2=CC=C(C=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)NSC2=CC=C(C=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-12-5-7-13(8-6-12)26-21-15(24)20-9-10-1-3-11(4-2-10)14(22)23/h1-8H,9H2,(H,22,23)(H2,20,21,24)