3-[(2-fluorophenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(2-fluorophenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(2-fluorophenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-fluorophenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-fluorophenyl)thiocarbamoylamino]benzoic acid Formula: C14H11FN2O2S MolecularWeight: 290.312743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O)F

InChI

InChI=1S/C14H11FN2O2S/c15-11-6-1-2-7-12(11)17-14(20)16-10-5-3-4-9(8-10)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)