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CHEBI:42369 - (5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide

ChEBI IDCHEBI:42369
ChEBI Name(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
Stars
ASCII Name(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H21N5O3S2
Net Charge0
Average Mass503.609
Monoisotopic Mass503.10858
SMILES[H]c1c([H])c([C@]2([H])C([H])([H])C(=O)N([H])S2(=O)=O)c([H])c([H])c1C([H])([H])[C@@]([H])(c1nc2c([H])c([H])c([H])c([H])c2n1[H])N([H])c1nc2c([H])c([H])c([H])c([H])c2s1
InChIInChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1
InChIKeyCQVSNNWJZWEETM-UNMCSNQZSA-N
ChEBI Ontology
Outgoing Relation(s)
(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide (CHEBI:42369) is a benzimidazoles (CHEBI:22715)
(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide (CHEBI:42369) is a benzothiazoles (CHEBI:37947)
(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide (CHEBI:42369) is a thiazolidinone (CHEBI:48891)
Synonym  Source
(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxidePDBeChem
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