O-Benzoylthiamine disulfide

Molecular Formula: C₃₈H₄₂N₈O₆S₂

InChI: InChI=1/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25+,34-26+/f/h39-40H2

InChIKey: InChIKey=IWXAZSAGYJHXPX-SLLQAPDZDE
SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SSC(=C(C)N(CC3=CN=C(N=C3N)C)C=O)CCOC(=O)C4=CC=CC=C4)C

Names:
    Benzoylthiamine disulfide
    Beprocin
    Beston
    Bisbentiamina [INN-Spanish]
    Bisbentiamine [INN:JAN]
    Bisbentiamine
    Bisbentiaminum [INN-Latin]
    Bis(O-benzoylthiamine)disulfide
    BTDS
    O-Benzoylthiamine disulfide
    [(E)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-5-benzoyloxy-pent-2-en-3-yl]disulfanyl-pent-3-enyl] benzoate

Registries:
    PubChem CID 3034022
    PubChem ID 213921