3-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]-4-methoxy-benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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