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4-[5-cyano-8-(2-furanyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl]-N-phenyl-1-piperazinecarbothioamide
SpectraBase Compound ID BpJ44vmhR6y
InChI InChI=1S/C26H27N5OS2/c1-26(2)15-19-20(16-27)24(29-23(21(19)17-34-26)22-9-6-14-32-22)30-10-12-31(13-11-30)25(33)28-18-7-4-3-5-8-18/h3-9,14H,10-13,15,17H2,1-2H3,(H,28,33)
InChIKey FQKNKCHKXYJWES-UHFFFAOYSA-N
Mol Weight 489.66 g/mol
Molecular Formula C26H27N5OS2
Exact Mass 489.165703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZu8pl2EUFJ
Name 4-[5-cyano-8-(2-furanyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl]-N-phenyl-1-piperazinecarbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27N5OS2
InChI InChI=1S/C26H27N5OS2/c1-26(2)15-19-20(16-27)24(29-23(21(19)17-34-26)22-9-6-14-32-22)30-10-12-31(13-11-30)25(33)28-18-7-4-3-5-8-18/h3-9,14H,10-13,15,17H2,1-2H3,(H,28,33)
InChIKey FQKNKCHKXYJWES-UHFFFAOYSA-N
Molecular Weight 489.656 g/mol
SMILES N(C(N1CCN(c2c(c3c(c(-c4occc4)n2)CSC(C3)(C)C)C#N)CC1)=S)c1ccccc1
SPLASH splash10-000i-2492000000-e2c1c21467cdf0217fe0
Synonyms 4-[5-cyano-8-(2-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl]-N-phenyl-piperazine-1-carbothioamide 4-[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-6-yl]-N-phenyl-piperazine-1-carbothioamide
Wiley ID 1457742