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ethyl 5-benzyl-2-[({[3-(4-morpholinyl)propyl]amino}carbothioyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID 9xnhsIXup6t
InChI InChI=1S/C22H29N3O3S2/c1-2-28-21(26)19-16-18(15-17-7-4-3-5-8-17)30-20(19)24-22(29)23-9-6-10-25-11-13-27-14-12-25/h3-5,7-8,16H,2,6,9-15H2,1H3,(H2,23,24,29)
InChIKey XGRULHGJUMCWCC-UHFFFAOYSA-N
Mol Weight 447.61 g/mol
Molecular Formula C22H29N3O3S2
Exact Mass 447.165034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zHi6xZGMRn
Name ethyl 5-benzyl-2-[({[3-(4-morpholinyl)propyl]amino}carbothioyl)amino]-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/C22H29N3O3S2/c1-2-28-21(26)19-16-18(15-17-7-4-3-5-8-17)30-20(19)24-22(29)23-9-6-10-25-11-13-27-14-12-25/h3-5,7-8,16H,2,6,9-15H2,1H3,(H2,23,24,29)
InChIKey XGRULHGJUMCWCC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7973
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/1268727; Labnumber: COL6529; UZI_ID: UZI-007975
Temperature 318 °C