In this study six unsymmetrical thiourea derivatives, 1-isobutyl-3-cyclohexylthiourea (1), 1-tert-butyl-3-cyclohexylthiourea (2), 1-(3-chlorophenyl)-3-cyclohexylthiourea (3), 1-(1,1-dibutyl)-3-phenylthiourea (4), 1-(2-chlorophenyl)-3-phenylthiourea (5) and 1-(4-chlorophenyl)-3-phenylthiourea (6) were obtained in the laboratory under aerobic conditions. Compounds 3 and 4 are crystalline and their structure was determined for their single crystal. Compounds 3 is monoclinic system with space group P2₁/n while compound 4 is trigonal, space group R³:H. Compounds (1–6) were tested for their anti-cholinesterase activity against acetylcholinesterase and butyrylcholinesterase (hereafter abbreviated as, AChE and BChE, respectively). Potentials (all compounds) as sensing probes for determination of deadly toxic metal (mercury) using spectrofluorimetric technique were also investigated. Compound 3 exhibited better enzyme inhibition IC₅₀ values of 50, and 60 µg/mL against AChE and BChE with docking score of −10.01, and −8.04 kJ/mol, respectively. The compound also showed moderate sensitivity during fluorescence studies.

中文翻译：

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硫脲衍生物，结构简单但高效的酶抑制剂和汞传感器

在这项研究中，六种不对称硫脲衍生物，1-异丁基-3-环己基硫脲 ( 1 )、1-叔丁基-3-环己基硫脲( 2 )、1-(3-氯苯基)-3-环己基硫脲( 3 )、1-( 1,1-二丁基）-3-苯基硫脲（4）、1-（2-氯苯基）-3-苯基硫脲（5）和1-（4-氯苯基）-3-苯基硫脲（6）在实验室有氧条件下得到状况。化合物3和4是结晶的，它们的结构由它们的单晶确定。化合物3为单斜晶系，空间群为 P2 ₁ /n 而化合物4是三角的，空间群R ³ :H。化合物（1 - 6）它们对乙酰胆碱酯酶和丁酰胆碱酯酶抗胆碱酯酶活性（分别为以下简称为，乙酰胆碱酯酶和BChE的）进行了测试。还研究了使用荧光光谱技术测定致命有毒金属（汞）作为传感探针的潜力（所有化合物）。化合物3对AChE和BChE表现出更好的酶抑制IC ₅₀值为50和60 μg/mL，对接评分分别为-10.01和-8.04 kJ/mol。该化合物在荧光研究期间也表现出中等灵敏度。