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methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 4k6u9kPNin1
InChI InChI=1S/C29H27N3O3S2/c1-35-28(34)25-20-14-7-2-3-8-16-24(20)37-27(25)32-29(36)31-26(33)21-17-23(18-11-5-4-6-12-18)30-22-15-10-9-13-19(21)22/h4-6,9-13,15,17H,2-3,7-8,14,16H2,1H3,(H2,31,32,33,36)
InChIKey VZIFAHLQMQYPFN-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 DwFZHghB49Y
Name methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/c1-35-28(34)25-20-14-7-2-3-8-16-24(20)37-27(25)32-29(36)31-26(33)21-17-23(18-11-5-4-6-12-18)30-22-15-10-9-13-19(21)22/h4-6,9-13,15,17H,2-3,7-8,14,16H2,1H3,(H2,31,32,33,36)
InChIKey VZIFAHLQMQYPFN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3268
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: D09826; Labnumber: NNOBK-5269; SBI_ID: SBI-003270
Temperature 315 °C