6-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-1H-isothiochromen-4-one

Systemtic Name: 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-1H-isothiochromen-4-one Openeye Name: 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]isothiochroman-4-one CAS Name: 6-cyclohexyl-1-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-1H-2-benzothiopyran-4-one IUPAC Name: 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-isothiochromen-4-one Traditional Name: 6-cyclohexyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]isothiochroman-4-one Formula: C26H29FN2O2S MolecularWeight: 452.584063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)C(SCC3=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H29FN2O2S/c27-20-7-9-21(10-8-20)28-12-14-29(15-13-28)26(31)25-22-11-6-19(18-4-2-1-3-5-18)16-23(22)24(30)17-32-25/h6-11,16,18,25H,1-5,12-15,17H2