N-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxamide

Systemtic Name: N-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxamide Openeye Name: 1-isopropyl-N-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-quinoline-3-carboxamide CAS Name: N-[8-[2-(methylthio)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-yl-3-quinolinecarboxamide IUPAC Name: N-[8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide Traditional Name: 1-isopropyl-2-keto-N-[8-[2-(methylthio)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]quinoline-3-carboxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CCSC

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NC3CC4CCC(C3)N4CCSC

InChI

InChI=1S/C23H31N3O2S/c1-15(2)26-21-7-5-4-6-16(21)12-20(23(26)28)22(27)24-17-13-18-8-9-19(14-17)25(18)10-11-29-3/h4-7,12,15,17-19H,8-11,13-14H2,1-3H3,(H,24,27)