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CHEBI:38946 - amocarzine

ChEBI IDCHEBI:38946
ChEBI Nameamocarzine
Stars
DefinitionA thiourea resulting from the formal condensation of the secondary amino group of 1-methylpiperazine and the primary amino group of N-(4-nitrophenyl)benzene-1,4-diamine with carbonothioic O,O-acid.
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H21N5O2S
Net Charge0
Average Mass371.466
Monoisotopic Mass371.14160
SMILESCN1CCN(C(=S)Nc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1
InChIInChI=1S/C18H21N5O2S/c1-21-10-12-22(13-11-21)18(26)20-16-4-2-14(3-5-16)19-15-6-8-17(9-7-15)23(24)25/h2-9,19H,10-13H2,1H3,(H,20,26)
InChIKeyUFLRJROFPAGRPN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
ChEBI Ontology
Outgoing Relation(s)
amocarzine (CHEBI:38946) has functional parent diphenylamine (CHEBI:4640)
amocarzine (CHEBI:38946) has role antinematodal drug (CHEBI:35444)
amocarzine (CHEBI:38946) is a C-nitro compound (CHEBI:35716)
amocarzine (CHEBI:38946) is a N-methylpiperazine (CHEBI:46920)
amocarzine (CHEBI:38946) is a secondary amino compound (CHEBI:50995)
amocarzine (CHEBI:38946) is a thioureas (CHEBI:51276)
IUPAC Name 
4-methyl-N-{4-[(4-nitrophenyl)amino]phenyl}piperazine-1-carbothioamide
INNs  Source
amocarzineChemIDplus
amocarzinaChemIDplus
amocarzinumChemIDplus
amocarzineWHO MedNet
Synonyms  Source
4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-1-piperazinecarbothioamideChemIDplus
phenthiourezineChemIDplus
Manual XrefsDatabases
185DrugCentral
Registry NumbersSources
Beilstein:850745Beilstein
CAS:36590-19-9ChemIDplus
Citations