4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C17H14ClN2O4S- MolecularWeight: 377.82206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O4S/c1-10-8-13(6-7-14(10)18)24-9-15(21)20-17(25)19-12-4-2-11(3-5-12)16(22)23/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)/p-1