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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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