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methyl 2-[({[3-(1H-imidazol-1-yl)propyl]amino}carbothioyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylate
SpectraBase Compound ID 3NXPJjXM1g7
InChI InChI=1S/C20H22N4O2S2/c1-14-16(15-7-4-3-5-8-15)17(19(25)26-2)18(28-14)23-20(27)22-9-6-11-24-12-10-21-13-24/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,22,23,27)
InChIKey ZPCYAESZMOAJJH-UHFFFAOYSA-N
Mol Weight 414.54 g/mol
Molecular Formula C20H22N4O2S2
Exact Mass 414.118418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GZ8hVPwWSYF
Name methyl 2-[({[3-(1H-imidazol-1-yl)propyl]amino}carbothioyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylate
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/C20H22N4O2S2/c1-14-16(15-7-4-3-5-8-15)17(19(25)26-2)18(28-14)23-20(27)22-9-6-11-24-12-10-21-13-24/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H2,22,23,27)
InChIKey ZPCYAESZMOAJJH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7585
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/1268356; Labnumber: COL5492; UZI_ID: UZI-007587
Temperature 318 °C