4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(4-fluorobenzyl)thiocarbamoylamino]methyl]benzoic acid Formula: C16H15FN2O2S MolecularWeight: 318.365903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NCC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NCC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H15FN2O2S/c17-14-7-3-12(4-8-14)10-19-16(22)18-9-11-1-5-13(6-2-11)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,18,19,22)