1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-4-(phenylmethyl)piperazin-2-one

Systemtic Name: 1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]-4-(phenylmethyl)piperazin-2-one Openeye Name: 4-benzyl-1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one CAS Name: 1-[2,2-dimethyl-6-(trifluoromethylthio)-1-benzopyran-4-yl]-4-(phenylmethyl)-2-piperazinone IUPAC Name: 4-benzyl-1-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]piperazin-2-one Traditional Name: 4-benzyl-1-[2,2-dimethyl-6-(trifluoromethylthio)chromen-4-yl]piperazin-2-one Formula: C23H23F3N2O2S MolecularWeight: 448.50113

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)SC(F)(F)F)N3CCN(CC3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H23F3N2O2S/c1-22(2)13-19(18-12-17(31-23(24,25)26)8-9-20(18)30-22)28-11-10-27(15-21(28)29)14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14-15H2,1-2H3