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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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