3-[(4-fluorophenyl)methylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoic acid CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoic acid Traditional Name: 3-[(4-fluorobenzyl)thiocarbamoylamino]benzoic acid Formula: C15H13FN2O2S MolecularWeight: 304.339323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13FN2O2S/c16-12-6-4-10(5-7-12)9-17-15(21)18-13-3-1-2-11(8-13)14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)