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N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea

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N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID F97DNZDzucU
InChI InChI=1S/C27H25N3O2S/c1-18(2)32-21-12-8-11-20(15-21)25-16-23(22-13-6-7-14-24(22)29-25)26(31)30-27(33)28-17-19-9-4-3-5-10-19/h3-16,18H,17H2,1-2H3,(H2,28,30,31,33)
InChIKey LBIMCTMGWJTRLC-UHFFFAOYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C27H25N3O2S
Exact Mass 455.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iavd0ef4mGf
Name N-Benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.166748229 u
Formula C27H25N3O2S
InChI InChI=1S/C27H25N3O2S/c1-18(2)32-21-12-8-11-20(15-21)25-16-23(22-13-6-7-14-24(22)29-25)26(31)30-27(33)28-17-19-9-4-3-5-10-19/h3-16,18H,17H2,1-2H3,(H2,28,30,31,33)
InChIKey LBIMCTMGWJTRLC-UHFFFAOYSA-N
Molecular Weight 455.576 g/mol
SMILES N(C(C=1C=C(C2=CC(OC(C)C)=CC=C2)N=C2C1C=CC=C2)=O)C(=S)NCC1=CC=CC=C1