4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[2-(1-methyl-2-pyrrolidinyl)ethylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[2-(1-methylpyrrolidin-2-yl)ethylthiocarbamoylthio]butyric acid Formula: C12H22N2O2S2 MolecularWeight: 290.44528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC(=S)SCCCC(=O)O

Isomeric SMILES

CN1CCCC1CCNC(=S)SCCCC(=O)O

InChI

InChI=1S/C12H22N2O2S2/c1-14-8-2-4-10(14)6-7-13-12(17)18-9-3-5-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)