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clobenpropit

Properties

Image

Occurences in reactions

MNX_ID

MNXM103920

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₄H₁₇ClN₄S

charge

mass

308.08625

reference

InChIKey

UCAIEVHKDLMIFL-UHFFFAOYSA-N

InChI

InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)

SMILES

N=C(NCc1ccc(Cl)cc1)SCCCc1c[nH]cn1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64177 chebi:64177	clobenpropit 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea
seed.compound:cpd17920 seedM:cpd17920 kegg.compound:C17934 keggC:C17934	Clobenpropit
CHEBI:64193 chebi:64193	clobenpropit(2+) clobenpropit dication
keggC:M_C17934 seedM:M_cpd17920	secondary/obsolete/fantasy identifier