(2S,3S)-2,3-bis(octylsulfanyl)-4-phenyl-N-(phenylmethyl)butan-1-amine

Systemtic Name: (2S,3S)-2,3-bis(octylsulfanyl)-4-phenyl-N-(phenylmethyl)butan-1-amine Openeye Name: (2S,3S)-N-benzyl-2,3-bis(octylsulfanyl)-4-phenyl-butan-1-amine CAS Name: (2S,3S)-2,3-bis(octylthio)-4-phenyl-N-(phenylmethyl)-1-butanamine IUPAC Name: (2S,3S)-N-benzyl-2,3-bis(octylsulfanyl)-4-phenylbutan-1-amine Traditional Name: benzyl-[(2S,3S)-2,3-bis(octylthio)-4-phenyl-butyl]amine Formula: C33H53NS2 MolecularWeight: 527.91062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(CC1=CC=CC=C1)C(CNCC2=CC=CC=C2)SCCCCCCCC

Isomeric SMILES

CCCCCCCCS[C@@H](CC1=CC=CC=C1)[C@H](CNCC2=CC=CC=C2)SCCCCCCCC

InChI

InChI=1S/C33H53NS2/c1-3-5-7-9-11-19-25-35-32(27-30-21-15-13-16-22-30)33(36-26-20-12-10-8-6-4-2)29-34-28-31-23-17-14-18-24-31/h13-18,21-24,32-34H,3-12,19-20,25-29H2,1-2H3/t32-,33-/m0/s1