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CHEBI:117086 - 4-[[[2-(1-azepanyl)ethyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:117086
ChEBI Name4-[[[2-(1-azepanyl)ethyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
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FormulaC23H31N3O3S
Net Charge0
Average Mass429.586
Monoisotopic Mass429.20861
SMILESCCOC(=O)c1ccc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)cc1
InChIInChI=1S/C23H31N3O3S/c1-2-28-22(27)19-9-11-20(12-10-19)24-23(30)26(18-21-8-7-17-29-21)16-15-25-13-5-3-4-6-14-25/h7-12,17H,2-6,13-16,18H2,1H3,(H,24,30)
InChIKeyJAACPTLVSQHMPO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[2-(1-azepanyl)ethyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester (CHEBI:117086) is a benzoate ester (CHEBI:36054)
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LSM-28533LINCS