3-[[4-[(2-fluorophenyl)carbonylamino]phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[4-[(2-fluorophenyl)carbonylamino]phenyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[4-[(2-fluorobenzoyl)amino]phenyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[4-[[(2-fluorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(2-fluorobenzoyl)amino]phenyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[4-[(2-fluorobenzoyl)amino]phenyl]thiocarbamoylamino]benzoic acid Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O)F

InChI

InChI=1S/C21H16FN3O3S/c22-18-7-2-1-6-17(18)19(26)23-14-8-10-15(11-9-14)24-21(29)25-16-5-3-4-13(12-16)20(27)28/h1-12H,(H,23,26)(H,27,28)(H2,24,25,29)