The crystallographic structure of the Schiff base, 2-(4-dimethylamino) benzylidene)hydrazine-1-carbothioamide (H₁L) is reported from X-ray single crystal data. The crystal structure is a triclinic crystal unit cell, space group P-1(2) with a = 8.529(3) Å, b = 9.387(4) Å, c =15.538(6) Å, alpha = 73.926(12) °, beta = 79.730(12) °, gamma = 83.087(13) °, V = 1174.2(8) Å ³ and Z = 4. The Hirsfield surface analysis revealed the presence of π…π stacking and N-H…π interactions. The title compound (H₁L) was synthesized by the condensation reaction of thiosemicarbazide, and p-dimethylaminobenzaldéhyde and characterized using microanalysis, FT-IR, UV-Visible, ¹H-NMR, ¹³C-NMR, HMBC, COZY, NOESY and used to investigate their antioxidant potency. Antioxidant activity of H₁L shows that the potency of the Schiff base is comparable to that of vitamin C.