3-chloranyl-4-methoxy-5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5S/c1-10-4-3-5-12(6-10)26-9-15(22)21-18(27)20-14-8-11(17(23)24)7-13(19)16(14)25-2/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,27)