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1-(isoquinoline-1-carbothioyl)-3,3-dimethyl-1-phenyl-urea
SpectraBase Compound ID 5weBfSMCFwy
InChI InChI=1S/C19H17N3OS/c1-21(2)19(23)22(15-9-4-3-5-10-15)18(24)17-16-11-7-6-8-14(16)12-13-20-17/h3-13H,1-2H3
InChIKey LXXWCSFVCWLDNV-UHFFFAOYSA-N
Mol Weight 335.43 g/mol
Molecular Formula C19H17N3OS
Exact Mass 335.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fwIXvsAWIS
Name 1-(isoquinoline-1-carbothioyl)-3,3-dimethyl-1-phenyl-urea
CAS Registry Number 102249-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3OS
InChI InChI=1S/C19H17N3OS/c1-21(2)19(23)22(15-9-4-3-5-10-15)18(24)17-16-11-7-6-8-14(16)12-13-20-17/h3-13H,1-2H3
InChIKey LXXWCSFVCWLDNV-UHFFFAOYSA-N
Molecular Weight 335.425 g/mol
SMILES C(N(C(N(C)C)=O)c1ccccc1)(c1c2c(cccc2)ccn1)=S
SPLASH splash10-0059-3960000000-fc42f31ff501534076c5
Source of Spectrum Y-22-1068-18
Synonyms 1-isoquinolin-1-ylcarbothioyl-3,3-dimethyl-1-phenyl-urea 1-[1-isoquinolinyl(sulfanylidene)methyl]-3,3-dimethyl-1-phenylurea
Wiley ID 1331701