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ethyl 6-methyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 9Vbnsoh4kcF
InChI InChI=1S/C29H27N3O3S2/c1-3-35-28(34)25-20-14-13-17(2)15-24(20)37-27(25)32-29(36)31-26(33)21-16-23(18-9-5-4-6-10-18)30-22-12-8-7-11-19(21)22/h4-12,16-17H,3,13-15H2,1-2H3,(H2,31,32,33,36)
InChIKey IUSVYERDVGFRBI-UHFFFAOYSA-N
Mol Weight 529.67 g/mol
Molecular Formula C29H27N3O3S2
Exact Mass 529.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98dwD1JzLUY
Name ethyl 6-methyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C29H27N3O3S2/c1-3-35-28(34)25-20-14-13-17(2)15-24(20)37-27(25)32-29(36)31-26(33)21-16-23(18-9-5-4-6-10-18)30-22-12-8-7-11-19(21)22/h4-12,16-17H,3,13-15H2,1-2H3,(H2,31,32,33,36)
InChIKey IUSVYERDVGFRBI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7237
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: 9685857; UBI_ID: UBI-007240
Temperature 308 °C