methyl 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[2-(1-methyl-2-pyrrolidinyl)ethylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylthiocarbamoylthio]butyric acid methyl ester Formula: C13H24N2O2S2 MolecularWeight: 304.47186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC(=S)SCCCC(=O)OC

Isomeric SMILES

CN1CCCC1CCNC(=S)SCCCC(=O)OC

InChI

InChI=1S/C13H24N2O2S2/c1-15-9-3-5-11(15)7-8-14-13(18)19-10-4-6-12(16)17-2/h11H,3-10H2,1-2H3,(H,14,18)