Study of 5-Bromo-2-thiophene carboxaldehyde derived novel Schiff base as a biologically active agent as well as X-ray crystallographic study of C-S coupled benzothiazole

•Novel Schiff base S1 via condensation of 5‑bromo-2-thiophene carboxaldehyde and 2-aminothiophenol has been synthesized.•DFT studies were utilized as a tool to predict the feasibility of various reactions as both cyclic and non-cyclic products can be formed.•Compound S1 showed good antioxidant behavior as well as good antimicrobial activity.•Synthesis of C1 through using a cheaper and more efficient route as it is quite an expensive compound.•First crystallographic evidence in the area of benzothiazole moiety.