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

Systemtic Name: 3-[[4-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylcarbamoylamino]benzoic acid Openeye Name: 3-[[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylcarbamoylamino]benzoic acid CAS Name: 3-[[[[[4-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(2-fluorobenzoyl)amino]phenyl]sulfanylcarbamoylamino]benzoic acid Traditional Name: 3-[[[4-[(2-fluorobenzoyl)amino]phenyl]thio]carbamoylamino]benzoic acid Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O4S/c22-18-7-2-1-6-17(18)19(26)23-14-8-10-16(11-9-14)30-25-21(29)24-15-5-3-4-13(12-15)20(27)28/h1-12H,(H,23,26)(H,27,28)(H2,24,25,29)