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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-1-[7-[5-(4-methylpiperazin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Openeye Name: 5-(4-methylpiperazin-1-yl)-1-[7-[5-(4-methylpiperazin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one CAS Name: 5-(4-methyl-1-piperazinyl)-1-[7-[5-(4-methyl-1-piperazinyl)-1-oxopentyl]-9H-thioxanthen-2-yl]-1-pentanone IUPAC Name: 5-(4-methylpiperazin-1-yl)-1-[7-[5-(4-methylpiperazin-1-yl)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Traditional Name: 5-(4-methylpiperazino)-1-[7-[5-(4-methylpiperazino)pentanoyl]-9H-thioxanthen-2-yl]pentan-1-one Formula: C33H46N4O2S MolecularWeight: 562.80894

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCN(CC5)C

Isomeric SMILES

CN1CCN(CC1)CCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCN5CCN(CC5)C

InChI

InChI=1S/C33H46N4O2S/c1-34-15-19-36(20-16-34)13-5-3-7-30(38)26-9-11-32-28(23-26)25-29-24-27(10-12-33(29)40-32)31(39)8-4-6-14-37-21-17-35(2)18-22-37/h9-12,23-24H,3-8,13-22,25H2,1-2H3