4-chloranyl-3-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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