2-[[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[(3-chloro-4-fluorophenyl)carbamothioylamino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]benzoyl]amino]acetic acid Formula: C16H13ClFN3O3S MolecularWeight: 381.809123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H13ClFN3O3S/c17-12-7-11(5-6-13(12)18)21-16(25)20-10-3-1-9(2-4-10)15(24)19-8-14(22)23/h1-7H,8H2,(H,19,24)(H,22,23)(H2,20,21,25)