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CHEBI:752066 - bentiamine

Default Structure
ChEBI IDCHEBI:752066
ChEBI Namebentiamine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC26H26N4O4S
Net Charge0
Average Mass490.585
Monoisotopic Mass490.16748
SMILESC/C(=C(/CCOC(=O)c1ccccc1)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N
InChIInChI=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+
InChIKeyAZJUFRDUYTYIHV-PTGBLXJZSA-N
ChEBI Ontology
Outgoing Relation(s)
bentiamine (CHEBI:752066) is a benzoate ester (CHEBI:36054)
INNs  Source
bentiaminaWHO MedNet
bentiamineWHO MedNet
Synonym  Source
DibenzoylthiamineChEMBL