(2R)-2-(phenylcarbamothioylamino)hexanoate

Systemtic Name: (2R)-2-(phenylcarbamothioylamino)hexanoate Openeye Name: (2R)-2-(phenylcarbamothioylamino)hexanoate CAS Name: (2R)-2-[[anilino(sulfanylidene)methyl]amino]hexanoate IUPAC Name: (2R)-2-(phenylcarbamothioylamino)hexanoate Traditional Name: (2R)-2-(phenylthiocarbamoylamino)hexanoate Formula: C13H17N2O2S- MolecularWeight: 265.35128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])NC(=S)NC1=CC=CC=C1

Isomeric SMILES

CCCC[C@H](C(=O)[O-])NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O2S/c1-2-3-9-11(12(16)17)15-13(18)14-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,16,17)(H2,14,15,18)/p-1/t11-/m1/s1