1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-azanyl-thioxanthen-9-one

Systemtic Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-azanyl-thioxanthen-9-one Openeye Name: 4-amino-1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)thioxanthen-9-one CAS Name: 4-amino-1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-9-thioxanthenone IUPAC Name: 4-amino-1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)thioxanthen-9-one Traditional Name: 4-amino-1-(quinolizidin-1-ylmethylamino)thioxanthen-9-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CCCC(C2C1)CNC3=C4C(=C(C=C3)N)SC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN2CCCC(C2C1)CNC3=C4C(=C(C=C3)N)SC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H27N3OS/c24-17-10-11-18(21-22(27)16-7-1-2-9-20(16)28-23(17)21)25-14-15-6-5-13-26-12-4-3-8-19(15)26/h1-2,7,9-11,15,19,25H,3-6,8,12-14,24H2