N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-piperazin-1-ylcarbonyl-thieno[2,3-c]pyridine-5-carboxamide

Systemtic Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-piperazin-1-ylcarbonyl-thieno[2,3-c]pyridine-5-carboxamide Openeye Name: N-(2-methylquinuclidin-3-yl)-3-(piperazine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide CAS Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-[oxo(1-piperazinyl)methyl]-5-thieno[2,3-c]pyridinecarboxamide IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-3-(piperazine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide Traditional Name: N-(2-methylquinuclidin-3-yl)-3-(piperazine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)C3=NC=C4C(=C3)C(=CS4)C(=O)N5CCNCC5

Isomeric SMILES

CC1C(C2CCN1CC2)NC(=O)C3=NC=C4C(=C3)C(=CS4)C(=O)N5CCNCC5

InChI

InChI=1S/C21H27N5O2S/c1-13-19(14-2-6-25(13)7-3-14)24-20(27)17-10-15-16(12-29-18(15)11-23-17)21(28)26-8-4-22-5-9-26/h10-14,19,22H,2-9H2,1H3,(H,24,27)