4-(prop-2-enylcarbamothioylsulfanyl)butanoic acid

Systemtic Name: 4-(prop-2-enylcarbamothioylsulfanyl)butanoic acid Openeye Name: 4-(allylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[(prop-2-enylamino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-(prop-2-enylcarbamothioylsulfanyl)butanoic acid Traditional Name: 4-(allylthiocarbamoylthio)butyric acid Formula: C8H13NO2S2 MolecularWeight: 219.32432

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)SCCCC(=O)O

Isomeric SMILES

C=CCNC(=S)SCCCC(=O)O

InChI

InChI=1S/C8H13NO2S2/c1-2-5-9-8(12)13-6-3-4-7(10)11/h2H,1,3-6H2,(H,9,12)(H,10,11)