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CHEBI:121748 - 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide

ChEBI IDCHEBI:121748
ChEBI Name4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide
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FormulaC26H26N4O2S
Net Charge0
Average Mass458.587
Monoisotopic Mass458.17765
SMILESCc1ccc(NC(=S)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1
InChIInChI=1S/C26H26N4O2S/c1-18-8-10-20(11-9-18)27-26(33)29-15-12-28(13-16-29)14-17-30-24(31)21-6-2-4-19-5-3-7-22(23(19)21)25(30)32/h2-11H,12-17H2,1H3,(H,27,33)
InChIKeyMVWVZBVKGFTXOW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide (CHEBI:121748) is a isoquinolines (CHEBI:24922)
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