4-[(2-fluorophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(2-fluorophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(2-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-fluorobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11FN2O3S MolecularWeight: 318.322843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11FN2O3S/c16-12-4-2-1-3-11(12)13(19)18-15(22)17-10-7-5-9(6-8-10)14(20)21/h1-8H,(H,20,21)(H2,17,18,19,22)