(2S,3S)-5-methyl-2,3-bis(octylsulfanyl)-N-(phenylmethyl)hexan-1-amine

Systemtic Name: (2S,3S)-5-methyl-2,3-bis(octylsulfanyl)-N-(phenylmethyl)hexan-1-amine Openeye Name: (2S,3S)-N-benzyl-5-methyl-2,3-bis(octylsulfanyl)hexan-1-amine CAS Name: (2S,3S)-5-methyl-2,3-bis(octylthio)-N-(phenylmethyl)-1-hexanamine IUPAC Name: (2S,3S)-N-benzyl-5-methyl-2,3-bis(octylsulfanyl)hexan-1-amine Traditional Name: benzyl-[(2S,3S)-5-methyl-2,3-bis(octylthio)hexyl]amine Formula: C30H55NS2 MolecularWeight: 493.8944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CC(C)C)C(CNCC1=CC=CC=C1)SCCCCCCCC

Isomeric SMILES

CCCCCCCCS[C@@H](CC(C)C)[C@H](CNCC1=CC=CC=C1)SCCCCCCCC

InChI

InChI=1S/C30H55NS2/c1-5-7-9-11-13-18-22-32-29(24-27(3)4)30(33-23-19-14-12-10-8-6-2)26-31-25-28-20-16-15-17-21-28/h15-17,20-21,27,29-31H,5-14,18-19,22-26H2,1-4H3/t29-,30-/m0/s1