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ethyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID KTTp9jjYTRM
InChI InChI=1S/C19H23BrN4O3S2/c1-4-27-18(26)13-11-8-6-5-7-9-12(11)29-17(13)22-19(28)21-16(25)15-14(20)10(2)23-24(15)3/h4-9H2,1-3H3,(H2,21,22,25,28)
InChIKey DHRYRJCWAMMPBG-UHFFFAOYSA-N
Mol Weight 499.44 g/mol
Molecular Formula C19H23BrN4O3S2
Exact Mass 498.039496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8tdaWJ1TJIh
Name ethyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-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/C19H23BrN4O3S2/c1-4-27-18(26)13-11-8-6-5-7-9-12(11)29-17(13)22-19(28)21-16(25)15-14(20)10(2)23-24(15)3/h4-9H2,1-3H3,(H2,21,22,25,28)
InChIKey DHRYRJCWAMMPBG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6936
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: 9686203; UBI_ID: UBI-006938
Temperature 318 °C