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N-{[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}-N'-(4-iodophenyl)thiourea

View entire compound with spectra: 2 NMR

N-{[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}-N'-(4-iodophenyl)thiourea
SpectraBase Compound ID 7vuEGJ81udQ
InChI InChI=1S/C23H15ClIN3OS/c24-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)27-21)22(29)28-23(30)26-17-11-9-16(25)10-12-17/h1-13H,(H2,26,28,29,30)
InChIKey WWOMXTPTZJSYBS-UHFFFAOYSA-N
Mol Weight 543.81 g/mol
Molecular Formula C23H15ClIN3OS
Exact Mass 542.966906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpKHwUi3pZq
Name N-{[2-(4-Chlorophenyl)-4-quinolinyl]carbonyl}-N'-(4-iodophenyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.966905988 u
Formula C23H15ClIN3OS
InChI InChI=1S/C23H15ClIN3OS/c24-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)27-21)22(29)28-23(30)26-17-11-9-16(25)10-12-17/h1-13H,(H2,26,28,29,30)
InChIKey WWOMXTPTZJSYBS-UHFFFAOYSA-N
Molecular Weight 543.810 g/mol
SMILES N(C(C=1C=C(C=2C=CC(=CC2)Cl)N=C2C1C=CC=C2)=O)C(NC=1C=CC(=CC1)I)=S