3-[4-[[2,6-bis(fluoranyl)phenyl]methyl]piperazin-1-yl]-1-(4-methylsulfanylphenyl)propan-1-one

Systemtic Name: 3-[4-[[2,6-bis(fluoranyl)phenyl]methyl]piperazin-1-yl]-1-(4-methylsulfanylphenyl)propan-1-one Openeye Name: 3-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1-(4-methylsulfanylphenyl)propan-1-one CAS Name: 3-[4-[(2,6-difluorophenyl)methyl]-1-piperazinyl]-1-[4-(methylthio)phenyl]-1-propanone IUPAC Name: 3-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1-(4-methylsulfanylphenyl)propan-1-one Traditional Name: 3-[4-(2,6-difluorobenzyl)piperazino]-1-[4-(methylthio)phenyl]propan-1-one Formula: C21H24F2N2OS MolecularWeight: 390.489866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CC3=C(C=CC=C3F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C21H24F2N2OS/c1-27-17-7-5-16(6-8-17)21(26)9-10-24-11-13-25(14-12-24)15-18-19(22)3-2-4-20(18)23/h2-8H,9-15H2,1H3