4-azanyl-2-methoxy-5-methylsulfanyl-N-[8-(phenylmethyl)-1-azabicyclo[3.2.1]octan-2-yl]benzamide

Systemtic Name: 4-azanyl-2-methoxy-5-methylsulfanyl-N-[8-(phenylmethyl)-1-azabicyclo[3.2.1]octan-2-yl]benzamide Openeye Name: 4-amino-N-(8-benzyl-1-azabicyclo[3.2.1]octan-2-yl)-2-methoxy-5-methylsulfanyl-benzamide CAS Name: 4-amino-2-methoxy-5-(methylthio)-N-[8-(phenylmethyl)-1-azabicyclo[3.2.1]octan-2-yl]benzamide IUPAC Name: 4-amino-N-(8-benzyl-1-azabicyclo[3.2.1]octan-2-yl)-2-methoxy-5-methylsulfanylbenzamide Traditional Name: 4-amino-N-(8-benzyl-1-azabicyclo[3.2.1]octan-2-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)NC2CCC3CCN2C3CC4=CC=CC=C4)SC)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCC3CCN2C3CC4=CC=CC=C4)SC)N

InChI

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