N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(phenethylcarbamoylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(phenethylcarbamoylamino)-1-benzothiophene-2-carboxamide Openeye Name: 6-(phenethylcarbamoylamino)-N-[(3R)-quinuclidin-3-yl]benzothiophene-2-carboxamide CAS Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[oxo-(phenethylamino)methyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(phenethylcarbamoylamino)-1-benzothiophene-2-carboxamide Traditional Name: 6-(phenethylcarbamoylamino)-N-[(3R)-quinuclidin-3-yl]benzothiophene-2-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C=C(C=C4)NC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(S3)C=C(C=C4)NC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2S/c30-24(28-21-16-29-12-9-18(21)10-13-29)23-14-19-6-7-20(15-22(19)32-23)27-25(31)26-11-8-17-4-2-1-3-5-17/h1-7,14-15,18,21H,8-13,16H2,(H,28,30)(H2,26,27,31)/t21-/m0/s1