3-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,4-difluorophenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2,4-difluorophenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,4-difluorophenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C15H12F2N2O2S MolecularWeight: 322.329786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F2N2O2S/c1-8-2-3-9(14(20)21)6-13(8)19-15(22)18-12-5-4-10(16)7-11(12)17/h2-7H,1H3,(H,20,21)(H2,18,19,22)