3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C15H12ClFN2O2S MolecularWeight: 338.784383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H12ClFN2O2S/c1-8-2-3-9(14(20)21)6-13(8)19-15(22)18-10-4-5-12(17)11(16)7-10/h2-7H,1H3,(H,20,21)(H2,18,19,22)