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2(1H)-isoquinolinecarbothioamide, 3,4-dihydro-6,7-dimethoxy-1-methyl-N-phenyl-

View entire compound with spectra: 2 NMR

2(1H)-isoquinolinecarbothioamide, 3,4-dihydro-6,7-dimethoxy-1-methyl-N-phenyl-
SpectraBase Compound ID 2VC0YL8zuBl
InChI InChI=1S/C19H22N2O2S/c1-13-16-12-18(23-3)17(22-2)11-14(16)9-10-21(13)19(24)20-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)
InChIKey PYEBXBDLDDUNBN-UHFFFAOYSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83RkhFGufwR
Name 2(1H)-Isoquinolinecarbothioamide, 3,4-dihydro-6,7-dimethoxy-1-methyl-N-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.140199128 u
Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-13-16-12-18(23-3)17(22-2)11-14(16)9-10-21(13)19(24)20-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)
InChIKey PYEBXBDLDDUNBN-UHFFFAOYSA-N
Molecular Weight 342.457 g/mol
SMILES N(C(N1C(C=2C=C(OC)C(=CC2CC1)OC)C)=S)C1=CC=CC=C1