N-[[(1S,3S,4R,5R)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine

Systemtic Name: N-[[(1S,3S,4R,5R)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine Openeye Name: N-[[(1S,3S,4R,5R)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine CAS Name: N-[[(1S,3S,4R,5R)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl]-2-[(4-methoxyphenyl)methylthio]ethanamine IUPAC Name: N-[[(1S,3S,4R,5R)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine Traditional Name: [(1S,3S,4R,5R)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-(p-anisylthio)ethyl]amine Formula: C25H33BrN2OS MolecularWeight: 489.51132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Br)CNCCSCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Br)CNCCSCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H33BrN2OS/c1-28-21-9-12-25(28)24(23(15-21)19-5-7-20(26)8-6-19)16-27-13-14-30-17-18-3-10-22(29-2)11-4-18/h3-8,10-11,21,23-25,27H,9,12-17H2,1-2H3/t21-,23+,24-,25+/m0/s1