6-(2-methylpropylcarbamothioylamino)hexanoic acid

Systemtic Name: 6-(2-methylpropylcarbamothioylamino)hexanoic acid Openeye Name: 6-(isobutylcarbamothioylamino)hexanoic acid CAS Name: 6-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]hexanoic acid IUPAC Name: 6-(2-methylpropylcarbamothioylamino)hexanoic acid Traditional Name: 6-(isobutylthiocarbamoylamino)hexanoic acid Formula: C11H22N2O2S MolecularWeight: 246.36958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NCCCCCC(=O)O

Isomeric SMILES

CC(C)CNC(=S)NCCCCCC(=O)O

InChI

InChI=1S/C11H22N2O2S/c1-9(2)8-13-11(16)12-7-5-3-4-6-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)