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

View entire compound with spectra: 2 NMR

N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}-N-phenylthiourea
SpectraBase Compound ID EL9y9TDAFfG
InChI InChI=1S/C33H29N3O2S/c1-23(2)38-27-17-11-14-25(20-27)31-21-29(28-18-9-10-19-30(28)34-31)32(37)35-33(39)36(26-15-7-4-8-16-26)22-24-12-5-3-6-13-24/h3-21,23H,22H2,1-2H3,(H,35,37,39)
InChIKey WYBPNBFETKLAOB-UHFFFAOYSA-N
Mol Weight 531.7 g/mol
Molecular Formula C33H29N3O2S
Exact Mass 531.198048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JED5xWsebJ9
Name N-Benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}-N-phenylthiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 531.198048358 u
Formula C33H29N3O2S
InChI InChI=1S/C33H29N3O2S/c1-23(2)38-27-17-11-14-25(20-27)31-21-29(28-18-9-10-19-30(28)34-31)32(37)35-33(39)36(26-15-7-4-8-16-26)22-24-12-5-3-6-13-24/h3-21,23H,22H2,1-2H3,(H,35,37,39)
InChIKey WYBPNBFETKLAOB-UHFFFAOYSA-N
Molecular Weight 531.674 g/mol
SMILES N(C(N(CC1=CC=CC=C1)C1=CC=CC=C1)=S)C(C=1C=C(C2=CC(OC(C)C)=CC=C2)N=C2C1C=CC=C2)=O