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

Systemtic Name: 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[(1-methyl-2-pyrrolidinyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(1-methylpyrrolidin-2-yl)methylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[(1-methylpyrrolidin-2-yl)methylthiocarbamoylthio]butyric acid Formula: C11H20N2O2S2 MolecularWeight: 276.4187

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CNC(=S)SCCCC(=O)O

Isomeric SMILES

CN1CCCC1CNC(=S)SCCCC(=O)O

InChI

InChI=1S/C11H20N2O2S2/c1-13-6-2-4-9(13)8-12-11(16)17-7-3-5-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)