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ethyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID KvPKsj3PJTI
InChI InChI=1S/C18H21ClN4O3S2/c1-3-23-14(11(19)9-20-23)15(24)21-18(27)22-16-13(17(25)26-4-2)10-7-5-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,21,22,24,27)
InChIKey XUUCHGWVMVSWIF-UHFFFAOYSA-N
Mol Weight 440.96 g/mol
Molecular Formula C18H21ClN4O3S2
Exact Mass 440.074361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5trcvgwS5nj
Name ethyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)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/C18H21ClN4O3S2/c1-3-23-14(11(19)9-20-23)15(24)21-18(27)22-16-13(17(25)26-4-2)10-7-5-6-8-12(10)28-16/h9H,3-8H2,1-2H3,(H2,21,22,24,27)
InChIKey XUUCHGWVMVSWIF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4505
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: 9681925; UBI_ID: UBI-004506
Temperature 313 °C