3-methyl-5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: 3-methyl-5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-hydroxy-3-methyl-5-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-hydroxy-3-methyl-5-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C18H17N2O5S- MolecularWeight: 373.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)C(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC(=C(C(=C2)C(=O)[O-])O)C

InChI

InChI=1S/C18H18N2O5S/c1-10-4-3-5-13(6-10)25-9-15(21)20-18(26)19-12-7-11(2)16(22)14(8-12)17(23)24/h3-8,22H,9H2,1-2H3,(H,23,24)(H2,19,20,21,26)/p-1