4-(1H-pyrrol-3-ylmethylcarbamothioylsulfanyl)butanoic acid

Systemtic Name: 4-(1H-pyrrol-3-ylmethylcarbamothioylsulfanyl)butanoic acid Openeye Name: 4-(1H-pyrrol-3-ylmethylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[(1H-pyrrol-3-ylmethylamino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-(1H-pyrrol-3-ylmethylcarbamothioylsulfanyl)butanoic acid Traditional Name: 4-(1H-pyrrol-3-ylmethylthiocarbamoylthio)butyric acid Formula: C10H14N2O2S2 MolecularWeight: 258.36036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC=C1CNC(=S)SCCCC(=O)O

Isomeric SMILES

C1=CNC=C1CNC(=S)SCCCC(=O)O

InChI

InChI=1S/C10H14N2O2S2/c13-9(14)2-1-5-16-10(15)12-7-8-3-4-11-6-8/h3-4,6,11H,1-2,5,7H2,(H,12,15)(H,13,14)