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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

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