5-(4-methylpiperidin-1-yl)-1-[7-[5-(4-methylpiperidin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one

Systemtic Name: 5-(4-methylpiperidin-1-yl)-1-[7-[5-(4-methylpiperidin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Openeye Name: 5-(4-methyl-1-piperidyl)-1-[7-[5-(4-methyl-1-piperidyl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one CAS Name: 5-(4-methyl-1-piperidinyl)-1-[7-[5-(4-methyl-1-piperidinyl)-1-oxopentyl]-9H-thioxanthen-2-yl]-1-pentanone IUPAC Name: 5-(4-methylpiperidin-1-yl)-1-[7-[5-(4-methylpiperidin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Traditional Name: 5-(4-methylpiperidino)-1-[7-[5-(4-methylpiperidino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Formula: C35H48N2O2S MolecularWeight: 560.83282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCC(CC5)C

Isomeric SMILES

CC1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCC(CC5)C

InChI

InChI=1S/C35H48N2O2S/c1-26-13-19-36(20-14-26)17-5-3-7-32(38)28-9-11-34-30(23-28)25-31-24-29(10-12-35(31)40-34)33(39)8-4-6-18-37-21-15-27(2)16-22-37/h9-12,23-24,26-27H,3-8,13-22,25H2,1-2H3