EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167781 - N1-(4-nitrophenyl)-2-amino-3-(benzylthio)propanamide

ChEBI IDCHEBI:167781
ChEBI NameN1-(4-nitrophenyl)-2-amino-3-(benzylthio)propanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17N3O3S
Net Charge0
Average Mass331.397
Monoisotopic Mass331.09906
SMILESNC(CSCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)
InChIKeyHOZQMLJHNCMSRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
N1-(4-nitrophenyl)-2-amino-3-(benzylthio)propanamide (CHEBI:167781) is a amino acid amide (CHEBI:22475)
IUPAC Name 
2-amino-3-benzylsulanyl-N-(4-nitrophenyl)propanamide
Manual XrefsDatabases
90474ChemSpider
Registry NumbersSources
CAS:52207-07-5ChemIDplus