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

View entire compound with spectra: 1 NMR

methyl 2-[({[3-(1H-imidazol-1-yl)propyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 9qylQAuRCzC
InChI InChI=1S/C18H24N4O2S2/c1-12-4-5-13-14(10-12)26-16(15(13)17(23)24-2)21-18(25)20-6-3-8-22-9-7-19-11-22/h7,9,11-12H,3-6,8,10H2,1-2H3,(H2,20,21,25)
InChIKey MVUYVSOPAOCKLW-UHFFFAOYSA-N
Mol Weight 392.54 g/mol
Molecular Formula C18H24N4O2S2
Exact Mass 392.134068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6PYJ9zal8kj
Name methyl 2-[({[3-(1H-imidazol-1-yl)propyl]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/C18H24N4O2S2/c1-12-4-5-13-14(10-12)26-16(15(13)17(23)24-2)21-18(25)20-6-3-8-22-9-7-19-11-22/h7,9,11-12H,3-6,8,10H2,1-2H3,(H2,20,21,25)
InChIKey MVUYVSOPAOCKLW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8269
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/1268247; Labnumber: COL7314; UZI_ID: UZI-008271
Temperature 318 °C