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N-benzyl-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N-phenylthiourea

View entire compound with spectra: 2 NMR

N-benzyl-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N-phenylthiourea
SpectraBase Compound ID 650flgX4vj3
InChI InChI=1S/C34H31N3O2S/c1-24(2)23-39-28-17-11-14-26(20-28)32-21-30(29-18-9-10-19-31(29)35-32)33(38)36-34(40)37(27-15-7-4-8-16-27)22-25-12-5-3-6-13-25/h3-21,24H,22-23H2,1-2H3,(H,36,38,40)
InChIKey NQMPZMAWUFWRNS-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C34H31N3O2S
Exact Mass 545.213698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7D2QRfPZ3no
Name N-Benzyl-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N-phenylthiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.213698422 u
Formula C34H31N3O2S
InChI InChI=1S/C34H31N3O2S/c1-24(2)23-39-28-17-11-14-26(20-28)32-21-30(29-18-9-10-19-31(29)35-32)33(38)36-34(40)37(27-15-7-4-8-16-27)22-25-12-5-3-6-13-25/h3-21,24H,22-23H2,1-2H3,(H,36,38,40)
InChIKey NQMPZMAWUFWRNS-UHFFFAOYSA-N
Molecular Weight 545.701 g/mol
SMILES N(C(N(CC=1C=CC=CC1)C1=CC=CC=C1)=S)C(C=1C=C(C=2C=C(OCC(C)C)C=CC2)N=C2C1C=CC=C2)=O