6-azanyl-2-[(phenylmethylsulfanyl)carbothioylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[(phenylmethylsulfanyl)carbothioylamino]hexanoic acid Openeye Name: 6-amino-2-(benzylsulfanylcarbothioylamino)hexanoic acid CAS Name: 6-amino-2-[[(phenylmethylthio)-sulfanylidenemethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-(benzylsulfanylcarbothioylamino)hexanoic acid Traditional Name: 6-amino-2-[(benzylthio)carbothioylamino]hexanoic acid Formula: C14H20N2O2S2 MolecularWeight: 312.4508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)NC(CCCCN)C(=O)O

InChI

InChI=1S/C14H20N2O2S2/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)