VIBRATIONAL ANALYSIS AND INFRARED SPECTRA OF Nl-*CCAPRONYL-N'-PHENYLTHIOUREA (*C : UC, 13C, 14C) USING COMPUTATIONAL CHEMISTRY

摘要

In a previous paper (1) the structure of N-capronyl-N'-phenylthiourea (1) was proved to be similar to that of antiepileptic drugs. To study its metabolism in living bodies, its isotopic carbon-labeled homologues, N-[l-l3C]capronyl-N'-phenylthiourea (2) and N[l-C]capronyl-N'-phenylthiourea (3), were synthesized (2). In (1) the carbon atom in the acyl remnant's carbonyl group is in a natural enrichment position, as compared to the similar positions in (2) and (3). The general structure of (1), (2), and (3) is.