(2S,3R)-1-(4-bromophenyl)-2-tert-butylsulfanyl-heptan-3-amine

Systemtic Name: (2S,3R)-1-(4-bromophenyl)-2-tert-butylsulfanyl-heptan-3-amine Openeye Name: (2S,3R)-1-(4-bromophenyl)-2-tert-butylsulfanyl-heptan-3-amine CAS Name: (2S,3R)-1-(4-bromophenyl)-2-(tert-butylthio)-3-heptanamine IUPAC Name: (2S,3R)-1-(4-bromophenyl)-2-tert-butylsulfanylheptan-3-amine Traditional Name: [(1R)-1-[(1S)-2-(4-bromophenyl)-1-(tert-butylthio)ethyl]pentyl]amine Formula: C17H28BrNS MolecularWeight: 358.37992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=C(C=C1)Br)SC(C)(C)C)N

Isomeric SMILES

CCCC[C@H]([C@H](CC1=CC=C(C=C1)Br)SC(C)(C)C)N

InChI

InChI=1S/C17H28BrNS/c1-5-6-7-15(19)16(20-17(2,3)4)12-13-8-10-14(18)11-9-13/h8-11,15-16H,5-7,12,19H2,1-4H3/t15-,16+/m1/s1