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CHEBI:40068 - 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA

Default Structure
ChEBI IDCHEBI:40068
ChEBI Name2-{2-[4-(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(C([H])([H])C([H])([H])S/C(=N/[H])N([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)
InChIKeyFZWGDUUJDZCYJR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA (CHEBI:40068) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREAPDBeChem
benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate)PDBeChem
Manual XrefsDatabases
4BTPDBeChem