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CHEBI:228684 - ethyl 2-[(4-ethoxyanilino)carbothioyl]-3-(propylamino)-2-butenoate

ChEBI IDCHEBI:228684
ChEBI Nameethyl 2-[(4-ethoxyanilino)carbothioyl]-3-(propylamino)-2-butenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N2O3S
Net Charge0
Average Mass350.484
Monoisotopic Mass350.16641
SMILESCCCNC(C)=C(C(=O)OCC)C(=S)Nc1ccc(OCC)cc1
InChIInChI=1S/C18H26N2O3S/c1-5-12-19-13(4)16(18(21)23-7-3)17(24)20-14-8-10-15(11-9-14)22-6-2/h8-11,19H,5-7,12H2,1-4H3,(H,20,24)
InChIKeyBYBULGBSLMCBTG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
ethyl 2-[(4-ethoxyanilino)carbothioyl]-3-(propylamino)-2-butenoate (CHEBI:228684) is a aromatic ether (CHEBI:35618)
IUPAC Name 
ethyl 2-[(4-ethoxyphenyl)carbamothioyl]-3-(propylamino)but-2-enoate
Manual XrefsDatabases
2592618ChemSpider