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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID 8ilUT8e3wZr
InChI InChI=1S/C30H28N4O2S2/c1-18(2)17-36-20-9-7-8-19(14-20)26-15-23(21-10-3-5-12-25(21)32-26)28(35)33-30(37)34-29-24(16-31)22-11-4-6-13-27(22)38-29/h3,5,7-10,12,14-15,18H,4,6,11,13,17H2,1-2H3,(H2,33,34,35,37)
InChIKey BPFNAWQVYLHPAU-UHFFFAOYSA-N
Mol Weight 540.7 g/mol
Molecular Formula C30H28N4O2S2
Exact Mass 540.165369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7u33LoFWr4J
Name N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H28N4O2S2/c1-18(2)17-36-20-9-7-8-19(14-20)26-15-23(21-10-3-5-12-25(21)32-26)28(35)33-30(37)34-29-24(16-31)22-11-4-6-13-27(22)38-29/h3,5,7-10,12,14-15,18H,4,6,11,13,17H2,1-2H3,(H2,33,34,35,37)
InChIKey BPFNAWQVYLHPAU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10862
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1003302; UBI_ID: UBI-010865
Temperature 308 °C