4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9,9a-dihydro-1H-thioxanthen-2-yl]butan-1-one

Systemtic Name: 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9,9a-dihydro-1H-thioxanthen-2-yl]butan-1-one Openeye Name: 4-(1-piperidyl)-1-[7-[4-(1-piperidyl)butanoyl]-9,9a-dihydro-1H-thioxanthen-2-yl]butan-1-one CAS Name: 1-[7-[1-oxo-4-(1-piperidinyl)butyl]-9,9a-dihydro-1H-thioxanthen-2-yl]-4-(1-piperidinyl)-1-butanone IUPAC Name: 4-piperidin-1-yl-1-[7-(4-piperidin-1-ylbutanoyl)-9,9a-dihydro-1H-thioxanthen-2-yl]butan-1-one Traditional Name: 4-piperidino-1-[7-(4-piperidinobutanoyl)-9,9a-dihydro-1H-thioxanthen-2-yl]butan-1-one Formula: C31H42N2O2S MolecularWeight: 506.74238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(=O)C2=CC=C3C(C2)CC4=C(S3)C=CC(=C4)C(=O)CCCN5CCCCC5

Isomeric SMILES

C1CCN(CC1)CCCC(=O)C2=CC=C3C(C2)CC4=C(S3)C=CC(=C4)C(=O)CCCN5CCCCC5

InChI

InChI=1S/C31H42N2O2S/c34-28(9-7-19-32-15-3-1-4-16-32)24-11-13-30-26(21-24)23-27-22-25(12-14-31(27)36-30)29(35)10-8-20-33-17-5-2-6-18-33/h11-14,21,27H,1-10,15-20,22-23H2