3-(4-ethanoylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)propan-1-one

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)propan-1-one Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)propan-1-one CAS Name: 3-(4-acetyl-1-piperazinyl)-1-[4-(hexylthio)-2,6-dimethylphenyl]-1-propanone IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethylphenyl)propan-1-one Traditional Name: 3-(4-acetylpiperazino)-1-[4-(hexylthio)-2,6-dimethyl-phenyl]propan-1-one Formula: C23H36N2O2S MolecularWeight: 404.60914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C)C(=O)CCN2CCN(CC2)C(=O)C)C

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C)C(=O)CCN2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C23H36N2O2S/c1-5-6-7-8-15-28-21-16-18(2)23(19(3)17-21)22(27)9-10-24-11-13-25(14-12-24)20(4)26/h16-17H,5-15H2,1-4H3