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methyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

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methyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID L22np1m05bE
InChI InChI=1S/C23H32N4O3S2/c1-3-27-15-16(14-24-27)20(28)25-23(31)26-21-19(22(29)30-2)17-12-10-8-6-4-5-7-9-11-13-18(17)32-21/h14-15H,3-13H2,1-2H3,(H2,25,26,28,31)
InChIKey LTHXEVXVMXFZED-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C23H32N4O3S2
Exact Mass 476.191583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5NhaZ17YQJB
Name methyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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/C23H32N4O3S2/c1-3-27-15-16(14-24-27)20(28)25-23(31)26-21-19(22(29)30-2)17-12-10-8-6-4-5-7-9-11-13-18(17)32-21/h14-15H,3-13H2,1-2H3,(H2,25,26,28,31)
InChIKey LTHXEVXVMXFZED-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4498
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: 9677771; UBI_ID: UBI-004499
Temperature 313 °C