(2S)-N1-ethyl-4-methylsulfanyl-N1-phenyl-butane-1,2-diamine

Systemtic Name: (2S)-N1-ethyl-4-methylsulfanyl-N1-phenyl-butane-1,2-diamine Openeye Name: (2S)-N1-ethyl-4-methylsulfanyl-N1-phenyl-butane-1,2-diamine CAS Name: (2S)-N1-ethyl-4-(methylthio)-N1-phenylbutane-1,2-diamine IUPAC Name: (2S)-1-N-ethyl-4-methylsulfanyl-1-N-phenylbutane-1,2-diamine Traditional Name: [(2S)-2-amino-4-(methylthio)butyl]-ethyl-phenyl-amine Formula: C13H22N2S MolecularWeight: 238.39218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CCSC)N)C1=CC=CC=C1

Isomeric SMILES

CCN(C[C@H](CCSC)N)C1=CC=CC=C1

InChI

InChI=1S/C13H22N2S/c1-3-15(11-12(14)9-10-16-2)13-7-5-4-6-8-13/h4-8,12H,3,9-11,14H2,1-2H3/t12-/m0/s1