3-[2-(2,4-dimethylphenoxy)ethanoylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(2,4-dimethylphenoxy)ethanoylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[2-(2,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[2-(2,4-dimethylphenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-11-4-7-16(13(3)8-11)25-10-17(22)21-19(26)20-15-9-14(18(23)24)6-5-12(15)2/h4-9H,10H2,1-3H3,(H,23,24)(H2,20,21,22,26)