2-(4-tert-butylphenyl)sulfanyl-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(4-tert-butylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-[(4-tert-butylphenyl)thio]ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-[(4-tert-butylphenyl)thio]ethanone Formula: C24H29FN2O2S MolecularWeight: 428.562663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)C(C)(C)C)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)C(C)(C)C)F

InChI

InChI=1S/C24H29FN2O2S/c1-17(28)18-5-10-22(21(25)15-18)26-11-13-27(14-12-26)23(29)16-30-20-8-6-19(7-9-20)24(2,3)4/h5-10,15H,11-14,16H2,1-4H3