1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(3-fluorophenyl)methylsulfanyl]propan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(3-fluorophenyl)methylsulfanyl]propan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(3-fluorophenyl)methylsulfanyl]propan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[(3-fluorophenyl)methylthio]-1-propanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[(3-fluorophenyl)methylsulfanyl]propan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-3-[(3-fluorobenzyl)thio]propan-1-one Formula: C22H27FN2OS MolecularWeight: 386.525983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCSCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCSCC3=CC(=CC=C3)F

InChI

InChI=1S/C22H27FN2OS/c1-17-6-7-18(2)21(14-17)24-9-11-25(12-10-24)22(26)8-13-27-16-19-4-3-5-20(23)15-19/h3-7,14-15H,8-13,16H2,1-2H3