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

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methyl 2-[({[1-(1-adamantyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AqvoqhZgNZP
InChI InChI=1S/C25H32N4O2S2/c1-14-3-4-18-19(7-14)33-22(21(18)23(30)31-2)27-24(32)26-20-5-6-29(28-20)25-11-15-8-16(12-25)10-17(9-15)13-25/h5-6,14-17H,3-4,7-13H2,1-2H3,(H2,26,27,28,32)
InChIKey RPUMKQVZSCJJIP-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C25H32N4O2S2
Exact Mass 484.196669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HbN9f6RYAnZ
Name methyl 2-[({[1-(1-adamantyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-6-methyl-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/C25H32N4O2S2/c1-14-3-4-18-19(7-14)33-22(21(18)23(30)31-2)27-24(32)26-20-5-6-29(28-20)25-11-15-8-16(12-25)10-17(9-15)13-25/h5-6,14-17H,3-4,7-13H2,1-2H3,(H2,26,27,28,32)
InChIKey RPUMKQVZSCJJIP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8243
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: UZI/1269775; Labnumber: COL7243; UZI_ID: UZI-008245
Temperature 318 °C