4-azanyl-2-methoxy-5-methylsulfanyl-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-5-yl]benzamide

Systemtic Name: 4-azanyl-2-methoxy-5-methylsulfanyl-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-5-yl]benzamide Openeye Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-5-yl)-2-methoxy-5-methylsulfanyl-benzamide CAS Name: 4-amino-2-methoxy-5-(methylthio)-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-5-yl]benzamide IUPAC Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-5-yl)-2-methoxy-5-methylsulfanylbenzamide Traditional Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-5-yl)-2-methoxy-5-(methylthio)benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC23CCCC(N2CC4=CC=CC=C4)CC3)SC)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC23CCCC(N2CC4=CC=CC=C4)CC3)SC)N

InChI

InChI=1S/C23H29N3O2S/c1-28-20-14-19(24)21(29-2)13-18(20)22(27)25-23-11-6-9-17(10-12-23)26(23)15-16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,6,9-12,15,24H2,1-2H3,(H,25,27)