methyl 6-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]hexanoate CAS Name: 6-[[[2-(2,4-dichlorophenyl)ethylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-(2,4-dichlorophenyl)ethylcarbamothioylamino]hexanoate Traditional Name: 6-[2-(2,4-dichlorophenyl)ethylthiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22Cl2N2O2S MolecularWeight: 377.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O2S/c1-22-15(21)5-3-2-4-9-19-16(23)20-10-8-12-6-7-13(17)11-14(12)18/h6-7,11H,2-5,8-10H2,1H3,(H2,19,20,23)