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CHEBI:228415 - 3-(4-methoxyanilino)-1-(4-methoxyphenyl)prop-2-ene-1-thione

ChEBI IDCHEBI:228415
ChEBI Name3-(4-methoxyanilino)-1-(4-methoxyphenyl)prop-2-ene-1-thione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17NO2S
Net Charge0
Average Mass299.395
Monoisotopic Mass299.09800
SMILESCOc1ccc(NC=CC(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H17NO2S/c1-19-15-7-3-13(4-8-15)17(21)11-12-18-14-5-9-16(20-2)10-6-14/h3-12,18H,1-2H3
InChIKeyGOYDPJHJXPXFPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(4-methoxyanilino)-1-(4-methoxyphenyl)prop-2-ene-1-thione (CHEBI:228415) is a aromatic ether (CHEBI:35618)
3-(4-methoxyanilino)-1-(4-methoxyphenyl)prop-2-ene-1-thione (CHEBI:228415) is a substituted aniline (CHEBI:48975)
IUPAC Name 
3-(4-methoxyanilino)-1-(4-methoxyphenyl)prop-2-ene-1-thione
Manual XrefsDatabases
2103272ChemSpider