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

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ChEBI Name 3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide
ChEBI ID CHEBI:112972
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H23N3O5S
Net Charge 0
Average Mass 429.491
Monoisotopic Mass 429.13584
InChI InChI=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
InChIKey QHSOQFZJNNJVSY-CABCVRRESA-N
SMILES COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide (CHEBI:112972) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-24382 LINCS
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