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2-({[(3-pyridinylcarbonyl)amino]carbothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SpectraBase Compound ID Bbu7I2sHVHG
InChI InChI=1S/C18H20N4O2S2/c19-15(23)14-12-7-3-1-2-4-8-13(12)26-17(14)22-18(25)21-16(24)11-6-5-9-20-10-11/h5-6,9-10H,1-4,7-8H2,(H2,19,23)(H2,21,22,24,25)
InChIKey TUPSNCGBQIRDRR-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C18H20N4O2S2
Exact Mass 388.102768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXufExojhgA
Name 2-({[(3-pyridinylcarbonyl)amino]carbothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
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/C18H20N4O2S2/c19-15(23)14-12-7-3-1-2-4-8-13(12)26-17(14)22-18(25)21-16(24)11-6-5-9-20-10-11/h5-6,9-10H,1-4,7-8H2,(H2,19,23)(H2,21,22,24,25)
InChIKey TUPSNCGBQIRDRR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13559
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/9143014; UBI_ID: UBI-013562
Temperature 308 °C