methyl 2-chloranyl-5-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[2-(4-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)Cl)Cl

InChI

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