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CHEBI:189104 - Febantel

ChEBI IDCHEBI:189104
ChEBI NameFebantel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N4O6S
Net Charge0
Average Mass446.485
Monoisotopic Mass446.12601
SMILESCOCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC
InChIInChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)
InChIKeyHMCCXLBXIJMERM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
Febantel (CHEBI:189104) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulanylphenyl]-N-methoxycarbonylcarbamimidoyl]carbamate
Manual XrefsDatabases
4514715ChemSpider
C75732KEGG COMPOUND
D04135KEGG DRUG
DB11409DrugBank
Registry NumbersSources
CAS:58306-30-2ChemIDplus