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CHEBI:39925 - 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA

Default Structure
ChEBI IDCHEBI:39925
ChEBI Name2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
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DownloadsMolfile
FormulaC12H18N4S2
Net Charge0
Average Mass282.438
Monoisotopic Mass282.09729
SMILES[H]/N=C(\SC([H])([H])C([H])([H])c1c([H])c([H])c([H])c(C([H])([H])C([H])([H])S/C(=N/[H])N([H])[H])c1[H])N([H])[H]
InChIInChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)
InChIKeyYEUSLPIIQGZHQB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA (CHEBI:39925) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREAPDBeChem
benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate)PDBeChem
Manual XrefsDatabases
3BTPDBeChem