For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(3-methoxyphenyl)thiourea

View entire compound with spectra: 2 NMR

N-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(3-methoxyphenyl)thiourea
SpectraBase Compound ID DX8yUN0vyNJ
InChI InChI=1S/C28H27N3O3S/c1-18(2)17-34-22-11-6-8-19(14-22)26-16-24(23-12-4-5-13-25(23)30-26)27(32)31-28(35)29-20-9-7-10-21(15-20)33-3/h4-16,18H,17H2,1-3H3,(H2,29,31,32,35)
InChIKey DFNPCUWABAUMSC-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C28H27N3O3S
Exact Mass 485.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5TFRsSIoReK
Name N-{[2-(3-Isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(3-methoxyphenyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.177312912 u
Formula C28H27N3O3S
InChI InChI=1S/C28H27N3O3S/c1-18(2)17-34-22-11-6-8-19(14-22)26-16-24(23-12-4-5-13-25(23)30-26)27(32)31-28(35)29-20-9-7-10-21(15-20)33-3/h4-16,18H,17H2,1-3H3,(H2,29,31,32,35)
InChIKey DFNPCUWABAUMSC-UHFFFAOYSA-N
Molecular Weight 485.602 g/mol
SMILES N(C(C=1C=C(C=2C=C(OCC(C)C)C=CC2)N=C2C1C=CC=C2)=O)C(NC1=CC(OC)=CC=C1)=S