7-(diethylcarbamothioylsulfanyl)heptanoic acid

Systemtic Name: 7-(diethylcarbamothioylsulfanyl)heptanoic acid Openeye Name: 7-(diethylcarbamothioylsulfanyl)heptanoic acid CAS Name: 7-[[diethylamino(sulfanylidene)methyl]thio]heptanoic acid IUPAC Name: 7-(diethylcarbamothioylsulfanyl)heptanoic acid Traditional Name: 7-(diethylthiocarbamoylthio)enanthic acid Formula: C12H23NO2S2 MolecularWeight: 277.44652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCCCCCCC(=O)O

Isomeric SMILES

CCN(CC)C(=S)SCCCCCCC(=O)O

InChI

InChI=1S/C12H23NO2S2/c1-3-13(4-2)12(16)17-10-8-6-5-7-9-11(14)15/h3-10H2,1-2H3,(H,14,15)