4-piperidin-1-yl-1-[8-(4-piperidin-1-ylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one

Systemtic Name: 4-piperidin-1-yl-1-[8-(4-piperidin-1-ylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one Openeye Name: 4-(1-piperidyl)-1-[8-[4-(1-piperidyl)butanoyl]-9H-thioxanthen-2-yl]butan-1-one CAS Name: 1-[8-[1-oxo-4-(1-piperidinyl)butyl]-9H-thioxanthen-2-yl]-4-(1-piperidinyl)-1-butanone IUPAC Name: 4-piperidin-1-yl-1-[8-(4-piperidin-1-ylbutanoyl)-9H-thioxanthen-2-yl]butan-1-one Traditional Name: 4-piperidino-1-[8-(4-piperidinobutanoyl)-9H-thioxanthen-2-yl]butan-1-one Formula: C31H40N2O2S MolecularWeight: 504.7265

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)SC4=CC=CC(=C4C3)C(=O)CCCN5CCCCC5

Isomeric SMILES

C1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)SC4=CC=CC(=C4C3)C(=O)CCCN5CCCCC5

InChI

InChI=1S/C31H40N2O2S/c34-28(11-8-20-32-16-3-1-4-17-32)24-14-15-30-25(22-24)23-27-26(10-7-13-31(27)36-30)29(35)12-9-21-33-18-5-2-6-19-33/h7,10,13-15,22H,1-6,8-9,11-12,16-21,23H2