5-ethylsulfanyl-2,3-dimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

Systemtic Name: 5-ethylsulfanyl-2,3-dimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide Openeye Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxy-benzamide CAS Name: 5-(ethylthio)-2,3-dimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide IUPAC Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-ethylsulfanyl-2,3-dimethoxybenzamide Traditional Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(ethylthio)-2,3-dimethoxy-benzamide Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C(=C1)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCSC1=CC(=C(C(=C1)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H32N2O3S/c1-4-31-21-14-22(24(30-3)23(15-21)29-2)25(28)26-18-12-19-10-11-20(13-18)27(19)16-17-8-6-5-7-9-17/h5-9,14-15,18-20H,4,10-13,16H2,1-3H3,(H,26,28)