1-[9-[1-[(4-oxidanylcyclohexyl)methyl]piperidin-4-ylidene]thioxanthen-2-yl]ethanone

Systemtic Name: 1-[9-[1-[(4-oxidanylcyclohexyl)methyl]piperidin-4-ylidene]thioxanthen-2-yl]ethanone Openeye Name: 1-[9-[1-[(4-hydroxycyclohexyl)methyl]-4-piperidylidene]thioxanthen-2-yl]ethanone CAS Name: 1-[9-[1-[(4-hydroxycyclohexyl)methyl]-4-piperidinylidene]-2-thioxanthenyl]ethanone IUPAC Name: 1-[9-[1-[(4-hydroxycyclohexyl)methyl]piperidin-4-ylidene]thioxanthen-2-yl]ethanone Traditional Name: 1-[9-[1-[(4-hydroxycyclohexyl)methyl]-4-piperidylidene]thioxanthen-2-yl]ethanone Formula: C27H31NO2S MolecularWeight: 433.60554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=C4CCN(CC4)CC5CCC(CC5)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=C4CCN(CC4)CC5CCC(CC5)O

InChI

InChI=1S/C27H31NO2S/c1-18(29)21-8-11-26-24(16-21)27(23-4-2-3-5-25(23)31-26)20-12-14-28(15-13-20)17-19-6-9-22(30)10-7-19/h2-5,8,11,16,19,22,30H,6-7,9-10,12-15,17H2,1H3