3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C19H19ClN2O4S/c1-10-4-5-13(18(24)25)8-15(10)21-19(27)22-16(23)9-26-14-6-11(2)17(20)12(3)7-14/h4-8H,9H2,1-3H3,(H,24,25)(H2,21,22,23,27)