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1-Piperazinecarboximidothioic acid, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-, methyl ester
SpectraBase Compound ID K6pi0F17FlZ
InChI InChI=1S/C20H22N4O4S/c1-26-17-11-14(13-21)15(12-18(17)27-2)22-20(29-3)24-8-6-23(7-9-24)19(25)16-5-4-10-28-16/h4-5,10-12H,6-9H2,1-3H3/b22-20-
InChIKey GHSNDSNABGBEMS-XDOYNYLZSA-N
Mol Weight 414.48 g/mol
Molecular Formula C20H22N4O4S
Exact Mass 414.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WCRdo3Uupi
Name 1-Piperazinecarboximidothioic acid, N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furanylcarbonyl)-, methyl ester
CAS Registry Number 67817-59-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O4S
InChI InChI=1S/C20H22N4O4S/c1-26-17-11-14(13-21)15(12-18(17)27-2)22-20(29-3)24-8-6-23(7-9-24)19(25)16-5-4-10-28-16/h4-5,10-12H,6-9H2,1-3H3/b22-20-
InChIKey GHSNDSNABGBEMS-XDOYNYLZSA-N
Molecular Weight 414.480 g/mol
SMILES c1(\N=C\(N2CCN(C(c3occc3)=O)CC2)SC)c(C#N)cc(c(c1)OC)OC
SPLASH splash10-01ot-9433400000-931eab56fd56538c51e5
Source of Spectrum Y-17-798-0
Synonyms Methyl N-(2-cyano-4,5-dimethoxyphenyl)-4-(2-furoyl)-1-piperazinecarbimidothioate Methyl N-(3,4-dimethoxy-6-cyanophenyl)-[4-(2-furoyl)piperazin-1-yl]thioformamidate
Wiley ID 1375268