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N-(3-methylphenyl)-4-{[(3-toluidinocarbothioyl)amino]methyl}-1-piperidinecarbothioamide
SpectraBase Compound ID BeKzE2POXqM
InChI InChI=1S/C22H28N4S2/c1-16-5-3-7-19(13-16)24-21(27)23-15-18-9-11-26(12-10-18)22(28)25-20-8-4-6-17(2)14-20/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,25,28)(H2,23,24,27)
InChIKey PDEGORKBTOPGRH-UHFFFAOYSA-N
Mol Weight 412.61 g/mol
Molecular Formula C22H28N4S2
Exact Mass 412.175539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FUatrxbeqZ6
Name N-(3-methylphenyl)-4-{[(3-toluidinocarbothioyl)amino]methyl}-1-piperidinecarbothioamide
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/C22H28N4S2/c1-16-5-3-7-19(13-16)24-21(27)23-15-18-9-11-26(12-10-18)22(28)25-20-8-4-6-17(2)14-20/h3-8,13-14,18H,9-12,15H2,1-2H3,(H,25,28)(H2,23,24,27)
InChIKey PDEGORKBTOPGRH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16820
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/1030064; Labnumber: PRO1536; UZI_ID: UZI-016824
Temperature 308 °C