methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]hexanoate CAS Name: 6-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[2-(4-chlorophenyl)ethylcarbamothioylamino]hexanoate Traditional Name: 6-[2-(4-chlorophenyl)ethylthiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O2S/c1-21-15(20)5-3-2-4-11-18-16(22)19-12-10-13-6-8-14(17)9-7-13/h6-9H,2-5,10-12H2,1H3,(H2,18,19,22)