amocarzine (CHEBI:38946)

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ChEBI Name	amocarzine

ChEBI ID	CHEBI:38946

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C18H21N5O2S

Net Charge

Average Mass

371.458

Monoisotopic Mass

371.14160

InChI

InChI=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)

InChIKey

UFLRJROFPAGRPN-UHFFFAOYSA-N

SMILES

C=1C(NC=2C=CC(NC(=S)N3CCN(CC3)C)=CC2)=CC=C([N+](=O)[O-])C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Application(s):	antinematodal drug A substance used in the treatment or control of nematode infestations.

ChEBI Ontology
Outgoing	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

Synonyms	Sources
4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-1-piperazinecarbothioamide	ChemIDplus
phenthiourezine	ChemIDplus

Last Modified

22 February 2017