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methyl 2-({[(3-pyridinylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID IHQfO2k2GwI
InChI InChI=1S/C17H19N3O2S2/c1-22-16(21)14-12-6-2-3-7-13(12)24-15(14)20-17(23)19-10-11-5-4-8-18-9-11/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,19,20,23)
InChIKey NOVKMCPTTQJVPY-UHFFFAOYSA-N
Mol Weight 361.48 g/mol
Molecular Formula C17H19N3O2S2
Exact Mass 361.091869 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1S6VDXocRqI
Name methyl 2-({[(3-pyridinylmethyl)amino]carbothioyl}amino)-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/C17H19N3O2S2/c1-22-16(21)14-12-6-2-3-7-13(12)24-15(14)20-17(23)19-10-11-5-4-8-18-9-11/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,19,20,23)
InChIKey NOVKMCPTTQJVPY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7801
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/1269117; Labnumber: COL6156; UZI_ID: UZI-007803
Temperature 318 °C