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

Systemtic Name: (2S,3S)-2-cyclohexylsulfanyl-N3,N3-bis(phenylmethyl)-N1-propyl-butane-1,3-diamine Openeye Name: (2S,3S)-N3,N3-dibenzyl-2-cyclohexylsulfanyl-N1-propyl-butane-1,3-diamine CAS Name: (2S,3S)-2-(cyclohexylthio)-N3,N3-bis(phenylmethyl)-N1-propylbutane-1,3-diamine IUPAC Name: (2S,3S)-3-N,3-N-dibenzyl-2-cyclohexylsulfanyl-1-N-propylbutane-1,3-diamine Traditional Name: dibenzyl-[(1S,2S)-2-(cyclohexylthio)-1-methyl-3-(propylamino)propyl]amine Formula: C27H40N2S MolecularWeight: 424.6849

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(C(C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3CCCCC3

Isomeric SMILES

CCCNC[C@@H]([C@H](C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)SC3CCCCC3

InChI

InChI=1S/C27H40N2S/c1-3-19-28-20-27(30-26-17-11-6-12-18-26)23(2)29(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-5,7-10,13-16,23,26-28H,3,6,11-12,17-22H2,1-2H3/t23-,27-/m0/s1