methyl 4-[(1-methylpiperidin-2-yl)methylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[(1-methylpiperidin-2-yl)methylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[(1-methyl-2-piperidyl)methylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[(1-methyl-2-piperidinyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-methylpiperidin-2-yl)methylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[(1-methyl-2-piperidyl)methylthiocarbamoylthio]butyric acid methyl ester Formula: C13H24N2O2S2 MolecularWeight: 304.47186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CNC(=S)SCCCC(=O)OC

Isomeric SMILES

CN1CCCCC1CNC(=S)SCCCC(=O)OC

InChI

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