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

Systemtic Name: 4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-chloro-2-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)Cl)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

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