2-[[(1S,3S,4R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethanamide

Systemtic Name: 2-[[(1S,3S,4R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethanamide Openeye Name: 2-[[(1S,3S,4R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide CAS Name: 2-[[(1S,3S,4R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-[(4-methoxyphenyl)methylthio]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-[[(1S,3S,4R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]amino]-N-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-[[(1S,3S,4R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl]methyl-[2-(p-anisylthio)ethyl]amino]-N-[2-(p-anisylthio)ethyl]acetamide Formula: C37H48FN3O3S2 MolecularWeight: 665.923723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)F)CN(CCSCC4=CC=C(C=C4)OC)CC(=O)NCCSCC5=CC=C(C=C5)OC

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)CN(CCSCC4=CC=C(C=C4)OC)CC(=O)NCCSCC5=CC=C(C=C5)OC

InChI

InChI=1S/C37H48FN3O3S2/c1-40-31-12-17-36(40)35(34(22-31)29-8-10-30(38)11-9-29)23-41(19-21-46-26-28-6-15-33(44-3)16-7-28)24-37(42)39-18-20-45-25-27-4-13-32(43-2)14-5-27/h4-11,13-16,31,34-36H,12,17-26H2,1-3H3,(H,39,42)/t31-,34+,35-,36+/m0/s1