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

Systemtic Name: 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H17ClN2O4S/c1-10-6-14(7-11(2)16(10)19)25-9-15(22)21-18(26)20-13-5-3-4-12(8-13)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)