6-piperazin-1-yl-1-[7-(6-piperazin-1-ylhexanoyl)-9H-thioxanthen-2-yl]hexan-1-one

Systemtic Name: 6-piperazin-1-yl-1-[7-(6-piperazin-1-ylhexanoyl)-9H-thioxanthen-2-yl]hexan-1-one Openeye Name: 6-piperazin-1-yl-1-[7-(6-piperazin-1-ylhexanoyl)-9H-thioxanthen-2-yl]hexan-1-one CAS Name: 1-[7-[1-oxo-6-(1-piperazinyl)hexyl]-9H-thioxanthen-2-yl]-6-(1-piperazinyl)-1-hexanone IUPAC Name: 6-piperazin-1-yl-1-[7-(6-piperazin-1-ylhexanoyl)-9H-thioxanthen-2-yl]hexan-1-one Traditional Name: 6-piperazino-1-[7-(6-piperazinohexanoyl)-9H-thioxanthen-2-yl]hexan-1-one Formula: C33H46N4O2S MolecularWeight: 562.80894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCCN5CCNCC5

Isomeric SMILES

C1CN(CCN1)CCCCCC(=O)C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(=O)CCCCCN5CCNCC5

InChI

InChI=1S/C33H46N4O2S/c38-30(7-3-1-5-17-36-19-13-34-14-20-36)26-9-11-32-28(23-26)25-29-24-27(10-12-33(29)40-32)31(39)8-4-2-6-18-37-21-15-35-16-22-37/h9-12,23-24,34-35H,1-8,13-22,25H2