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

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

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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)Cl)C

Isomeric SMILES

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

InChI

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