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ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID PO4slgyjvn
InChI InChI=1S/C19H24N4O3S2/c1-3-23-11-12(10-20-23)16(24)21-19(27)22-17-15(18(25)26-4-2)13-8-6-5-7-9-14(13)28-17/h10-11H,3-9H2,1-2H3,(H2,21,22,24,27)
InChIKey IRLGKAVSTKRBHP-UHFFFAOYSA-N
Mol Weight 420.55 g/mol
Molecular Formula C19H24N4O3S2
Exact Mass 420.128983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JqjqbZcGtil
Name ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[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/C19H24N4O3S2/c1-3-23-11-12(10-20-23)16(24)21-19(27)22-17-15(18(25)26-4-2)13-8-6-5-7-9-14(13)28-17/h10-11H,3-9H2,1-2H3,(H2,21,22,24,27)
InChIKey IRLGKAVSTKRBHP-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4478
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: 9685260; UBI_ID: UBI-004479
Temperature 313 °C