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

Systemtic Name: 5-(4-propylpiperidin-1-yl)-1-[7-[5-(4-propylpiperidin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Openeye Name: 5-(4-propyl-1-piperidyl)-1-[7-[5-(4-propyl-1-piperidyl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one CAS Name: 1-[7-[1-oxo-5-(4-propyl-1-piperidinyl)pentyl]-9H-thioxanthen-2-yl]-5-(4-propyl-1-piperidinyl)-1-pentanone IUPAC Name: 5-(4-propylpiperidin-1-yl)-1-[7-[5-(4-propylpiperidin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Traditional Name: 5-(4-propylpiperidino)-1-[7-[5-(4-propylpiperidino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Formula: C39H56N2O2S MolecularWeight: 616.93914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCC(CC5)CCC

Isomeric SMILES

CCCC1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCC(CC5)CCC

InChI

InChI=1S/C39H56N2O2S/c1-3-9-30-17-23-40(24-18-30)21-7-5-11-36(42)32-13-15-38-34(27-32)29-35-28-33(14-16-39(35)44-38)37(43)12-6-8-22-41-25-19-31(10-4-2)20-26-41/h13-16,27-28,30-31H,3-12,17-26,29H2,1-2H3