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3-[(2Z)-3-Chloro-2-butenyl]-8-methoxy-2-methyl-4-quinolinyl imidothiocarbamate
SpectraBase Compound ID D0SJxig8DfC
InChI InChI=1S/C16H18ClN3OS/c1-9(17)7-8-11-10(2)20-14-12(15(11)22-16(18)19)5-4-6-13(14)21-3/h4-7H,8H2,1-3H3,(H3,18,19)/b9-7-
InChIKey PEUKFGVCDSPHCZ-CLFYSBASSA-N
Mol Weight 335.85 g/mol
Molecular Formula C16H18ClN3OS
Exact Mass 335.085911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDGcmIQ49Tm
Name 3-[(2Z)-3-Chloro-2-butenyl]-8-methoxy-2-methyl-4-quinolinyl imidothiocarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18ClN3OS
InChI InChI=1S/C16H18ClN3OS/c1-9(17)7-8-11-10(2)20-14-12(15(11)22-16(18)19)5-4-6-13(14)21-3/h4-7H,8H2,1-3H3,(H3,18,19)/b9-7-
InChIKey PEUKFGVCDSPHCZ-CLFYSBASSA-N
Molecular Weight 335.853 g/mol
SMILES N=C(Sc1c(c(C)nc2c1cccc2OC)C\C=C\(Cl)C)N
SPLASH splash10-052o-9280000000-e010f5fe40029644d23d
Source of Spectrum AD-0-2532-0
Synonyms 2-[3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methyl-4-quinolyl]isothiourea Quinoline, 3-(3-chloro-2-butenyl)-4-isothioureido-8-methoxy-2-methyl- Carbamimidothioic acid [3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methyl-4-quinolinyl] ester [3-[(Z)-3-chlorobut-2-enyl]-8-methoxy-2-methylquinolin-4-yl] carbamimidothioate
Wiley ID 1425829