Human gastric adenocarcinoma is one of the common malignant tumors that is highly responsible for cancer-associated mortality. Besides available treatment strategies, patients with metastatic gastric cancer have very low survival rate due to Metastasis which is the main hazard of cancer to human health. In this context, migration is a pivotal component of metastasis that enables cancer cell dissemination from primary tumoral mass. Inhibitors of cell migration interfere with propagation of cells to distant tissues and are regarded as invaluable anticancer drug candidates. Thioureas are privileged medicinal scaffolds that confer a broad range of structural diversity for anticancer effects. Within a current contribution, a few 1-arylmethyl-3-benzoyl/cyclopropanoyl thiourea derivatives (1-10) were synthesized, structurally characterized, and assessed in terms of cytotoxicity and effects on the migration behavior of human gastric cancer (AGS) cells. Molecular docking and molecular dynamics (MD) simulations were carried out to explore the binding mode of evaluated compounds with regard to RhoA as a potential GTPase therapeutic target in the context of cell migration and gastric cancer. In silico and in vitro assays are invaluable approaches to infer in vivo tests and clinical trials. Taken together, it was demonstrated that 1-benzoyl/cyclopropanoyl-3-methylaryl thiourea compounds may be appropriate candidates for inhibition of AGS cell migration and hence further development to antimetastatic agents.