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CHEBI:112972 - 3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide

ChEBI IDCHEBI:112972
ChEBI Name3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide
Stars
DownloadsMolfile
FormulaC21H23N3O5S
Net Charge0
Average Mass429.498
Monoisotopic Mass429.13584
SMILESCOc1cc(C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5S/c1-27-16-9-13(10-17(28-2)18(16)29-3)19(25)22-21(30)24-23-20(26)15-11-14(15)12-7-5-4-6-8-12/h4-10,14-15H,11H2,1-3H3,(H,23,26)(H2,22,24,25,30)/t14-,15+/m1/s1
InChIKeyQHSOQFZJNNJVSY-CABCVRRESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide (CHEBI:112972) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-24382LINCS