(2S,3R)-1-(2-methylphenyl)-2-(phenylmethylsulfanyl)heptan-3-amine

Systemtic Name: (2S,3R)-1-(2-methylphenyl)-2-(phenylmethylsulfanyl)heptan-3-amine Openeye Name: (2S,3R)-2-benzylsulfanyl-1-(o-tolyl)heptan-3-amine CAS Name: (2S,3R)-1-(2-methylphenyl)-2-(phenylmethylthio)-3-heptanamine IUPAC Name: (2S,3R)-2-benzylsulfanyl-1-(2-methylphenyl)heptan-3-amine Traditional Name: [(1R)-1-[(1S)-1-(benzylthio)-2-(o-tolyl)ethyl]pentyl]amine Formula: C21H29NS MolecularWeight: 327.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=CC=C1C)SCC2=CC=CC=C2)N

Isomeric SMILES

CCCC[C@H]([C@H](CC1=CC=CC=C1C)SCC2=CC=CC=C2)N

InChI

InChI=1S/C21H29NS/c1-3-4-14-20(22)21(15-19-13-9-8-10-17(19)2)23-16-18-11-6-5-7-12-18/h5-13,20-21H,3-4,14-16,22H2,1-2H3/t20-,21+/m1/s1