2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C23H29FN2OS MolecularWeight: 400.552563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2OS/c1-17-5-6-18(23(2,3)4)15-21(17)28-16-22(27)26-13-11-25(12-14-26)20-9-7-19(24)8-10-20/h5-10,15H,11-14,16H2,1-4H3