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

Systemtic Name: 2,4-bis(chloranyl)-5-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2,4-dichloro-5-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2,4-dichloro-5-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O4S/c1-9-3-2-4-10(5-9)25-8-15(22)21-17(26)20-14-6-11(16(23)24)12(18)7-13(14)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)