Molecular Formula: C26H26N4O4S;

Molecular Weight: 490.58;

Exact Mass: 490.1675

Synonym: Dibenzoylthiamine; Bentiamine; CCRIS1339; Bentiamina; CCRIS-1339; Bentiaminum;

Chemical Name: Benzenecarbothioic acid, S-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl) ester

InChi Key: AZJUFRDUYTYIHV-NKFKGCMQSA-N

InChi Code: InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-

SMILES Code: O=C(C1=CC=CC=C1)S/C(CCOC(C2=CC=CC=C2)=O)=C(N(CC3=CN=C(C)N=C3N)C=O)/C