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2(1H)-isoquinolinecarbothioamide, N-cyclopropyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-

View entire compound with spectra: 2 NMR

2(1H)-isoquinolinecarbothioamide, N-cyclopropyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-
SpectraBase Compound ID AUPV6Shzo0T
InChI InChI=1S/C23H28N2O4S/c1-26-18-8-5-15(12-19(18)27-2)22-17-13-21(29-4)20(28-3)11-14(17)9-10-25(22)23(30)24-16-6-7-16/h5,8,11-13,16,22H,6-7,9-10H2,1-4H3,(H,24,30)
InChIKey IFUSZGUTQBEVSQ-UHFFFAOYSA-N
Mol Weight 428.55 g/mol
Molecular Formula C23H28N2O4S
Exact Mass 428.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Nj44TS5br6
Name 2(1H)-Isoquinolinecarbothioamide, N-cyclopropyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.176978560 u
Formula C23H28N2O4S
InChI InChI=1S/C23H28N2O4S/c1-26-18-8-5-15(12-19(18)27-2)22-17-13-21(29-4)20(28-3)11-14(17)9-10-25(22)23(30)24-16-6-7-16/h5,8,11-13,16,22H,6-7,9-10H2,1-4H3,(H,24,30)
InChIKey IFUSZGUTQBEVSQ-UHFFFAOYSA-N
Molecular Weight 428.547 g/mol
SMILES N(C(N1C(C=2C=C(OC)C(=CC2CC1)OC)C=1C=C(OC)C(=CC1)OC)=S)C1CC1