(2S,3S)-2-pentylsulfanyl-N3,N3-bis(phenylmethyl)-N1-propyl-butane-1,3-diamine

Systemtic Name: (2S,3S)-2-pentylsulfanyl-N3,N3-bis(phenylmethyl)-N1-propyl-butane-1,3-diamine Openeye Name: (2S,3S)-N3,N3-dibenzyl-2-pentylsulfanyl-N1-propyl-butane-1,3-diamine CAS Name: (2S,3S)-2-(pentylthio)-N3,N3-bis(phenylmethyl)-N1-propylbutane-1,3-diamine IUPAC Name: (2S,3S)-3-N,3-N-dibenzyl-2-pentylsulfanyl-1-N-propylbutane-1,3-diamine Traditional Name: [(1S,2S)-2-(amylthio)-1-methyl-3-(propylamino)propyl]-dibenzyl-amine Formula: C26H40N2S MolecularWeight: 412.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(CNCCC)C(C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCS[C@@H](CNCCC)[C@H](C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C26H40N2S/c1-4-6-13-19-29-26(20-27-18-5-2)23(3)28(21-24-14-9-7-10-15-24)22-25-16-11-8-12-17-25/h7-12,14-17,23,26-27H,4-6,13,18-22H2,1-3H3/t23-,26-/m0/s1