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

Systemtic Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methyl-thioxanthen-9-one Openeye Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methyl-thioxanthen-9-one CAS Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methyl-9-thioxanthenone IUPAC Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methylthioxanthen-9-one Traditional Name: 4-methyl-1-(quinolizidin-1-ylmethylamino)thioxanthen-9-one Formula: C24H28N2OS MolecularWeight: 392.55692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCC3CCCN4C3CCCC4)C(=O)C5=CC=CC=C5S2

Isomeric SMILES

CC1=C2C(=C(C=C1)NCC3CCCN4C3CCCC4)C(=O)C5=CC=CC=C5S2

InChI

InChI=1S/C24H28N2OS/c1-16-11-12-19(22-23(27)18-8-2-3-10-21(18)28-24(16)22)25-15-17-7-6-14-26-13-5-4-9-20(17)26/h2-3,8,10-12,17,20,25H,4-7,9,13-15H2,1H3