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N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-2-(3-ethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID AwqVZaCVbOS
InChI InChI=1S/C33H28ClN3O3S/c1-2-40-23-9-7-8-20(18-23)28-19-26(24-10-3-5-12-27(24)36-28)31(38)37-33-30(25-11-4-6-13-29(25)41-33)32(39)35-22-16-14-21(34)15-17-22/h3,5,7-10,12,14-19H,2,4,6,11,13H2,1H3,(H,35,39)(H,37,38)
InChIKey VERCNGXSSRMDOW-UHFFFAOYSA-N
Mol Weight 582.1 g/mol
Molecular Formula C33H28ClN3O3S
Exact Mass 581.153991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7fMqaqivMbt
Name N-{3-[(4-chloroanilino)carbonyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-2-(3-ethoxyphenyl)-4-quinolinecarboxamide
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/C33H28ClN3O3S/c1-2-40-23-9-7-8-20(18-23)28-19-26(24-10-3-5-12-27(24)36-28)31(38)37-33-30(25-11-4-6-13-29(25)41-33)32(39)35-22-16-14-21(34)15-17-22/h3,5,7-10,12,14-19H,2,4,6,11,13H2,1H3,(H,35,39)(H,37,38)
InChIKey VERCNGXSSRMDOW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29584
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: 1004640; SBI_ID: SBI-029588
Temperature 308 °C