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CHEBI:120869 - N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide

ChEBI IDCHEBI:120869
ChEBI NameN-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
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DownloadsMolfile
FormulaC21H23N3O2S
Net Charge0
Average Mass381.501
Monoisotopic Mass381.15110
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C21H23N3O2S/c25-20(15-27-21-23-17-10-4-6-12-19(17)26-21)22-16-9-3-5-11-18(16)24-13-7-1-2-8-14-24/h3-6,9-12H,1-2,7-8,13-15H2,(H,22,25)
InChIKeyYZVPKTNHPGPCIU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide (CHEBI:120869) is a aromatic amide (CHEBI:62733)
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide (CHEBI:120869) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
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