5-chloranyl-2-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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