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2-(4-(4'-carboamidocarbonylpiperazino)phenyl)-5-chloro-3(2H)-isothiazolone
SpectraBase Compound ID 1m2z3sM9IsT
InChI InChI=1S/C14H15ClN4O2S/c15-12-9-13(20)19(22-12)11-3-1-10(2-4-11)17-5-7-18(8-6-17)14(16)21/h1-4,9H,5-8H2,(H2,16,21)
InChIKey WYAIIOZAHRJLHZ-UHFFFAOYSA-N
Mol Weight 338.81 g/mol
Molecular Formula C14H15ClN4O2S
Exact Mass 338.060425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iaIXCz3etP
Name 2-(4-(4'-carboamidocarbonylpiperazino)phenyl)-5-chloro-3(2H)-isothiazolone
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Formula C14H15ClN4O2S
InChI InChI=1S/C14H15ClN4O2S/c15-12-9-13(20)19(22-12)11-3-1-10(2-4-11)17-5-7-18(8-6-17)14(16)21/h1-4,9H,5-8H2,(H2,16,21)
InChIKey WYAIIOZAHRJLHZ-UHFFFAOYSA-N
Molecular Weight 338.813 g/mol
SMILES NC(N1CCN(c2ccc(N3C(C=C(S3)Cl)=O)cc2)CC1)=O
SPLASH splash10-0006-0193000000-ff6385cfee7692921478
Source of Spectrum EMC-39-702-6r
Synonyms 4-(4-(5-chloro-3-oxoisothiazol-2(3H)-yl)phenyl)piperazine-1-carboxamide 4-[4-(5-chloro-3-oxo-2-isothiazolyl)phenyl]-1-piperazinecarboxamide 4-[4-(5-chloro-3-oxo-1,2-thiazol-2-yl)phenyl]piperazine-1-carboxamide 4-[4-(5-chloro-3-oxo-isothiazol-2-yl)phenyl]piperazine-1-carboxamide 4-[4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)phenyl]piperazine-1-carboxamide
Wiley ID 1734853