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CHEBI:38944 - amoscanate

ChEBI IDCHEBI:38944
ChEBI Nameamoscanate
Stars
DefinitionAn isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group.
Last Modified13 March 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC13H9N3O2S
Net Charge0
Average Mass271.301
Monoisotopic Mass271.04155
SMILESO=[N+]([O-])c1ccc(Nc2ccc(N=C=S)cc2)cc1
InChIInChI=1S/C13H9N3O2S/c17-16(18)13-7-5-12(6-8-13)15-11-3-1-10(2-4-11)14-9-19/h1-8,15H
InChIKeyDKVNAGXPRSYHLB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
schistosomicide drug  Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma.
ChEBI Ontology
Outgoing Relation(s)
amoscanate (CHEBI:38944) has functional parent diphenylamine (CHEBI:4640)
amoscanate (CHEBI:38944) has role schistosomicide drug (CHEBI:38941)
amoscanate (CHEBI:38944) is a C-nitro compound (CHEBI:35716)
amoscanate (CHEBI:38944) is a isothiocyanate (CHEBI:52221)
amoscanate (CHEBI:38944) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
4-isothiocyanato-N-(4-nitrophenyl)aniline
INNs  Source
amoscanateChemIDplus
amoscanatoChemIDplus
amoscanatumChemIDplus
Synonyms  Source
4-isothiocyanato-4'-nitrodiphenylamineChemIDplus
4-isothiocyanato-N-(4-nitrophenyl)benzenamineChemIDplus
p-(p-nitroanilino)phenyl isothiocyanateChemIDplus
isothiocyanic acid, p-(p-nitroanilino)phenyl esterChemIDplus
nithiocyamineChemIDplus
4-(4-Nitroanilino)phenylisothiocyanatChemIDplus
Manual XrefsDatabases
189DrugCentral
AmoscanateWikipedia
Registry NumbersSources
Beilstein:888705Beilstein
CAS:26328-53-0ChemIDplus
Citations