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methyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 9qmoLHBLYqR
InChI InChI=1S/C19H19ClN2O3S3/c1-25-18(24)15-11-5-3-4-6-14(11)28-17(15)22-19(26)21-16(23)12-9-10(27-2)7-8-13(12)20/h7-9H,3-6H2,1-2H3,(H2,21,22,23,26)
InChIKey ZOGFTGXGVQZCOI-UHFFFAOYSA-N
Mol Weight 455.01 g/mol
Molecular Formula C19H19ClN2O3S3
Exact Mass 454.024634 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JO2iSYRgIW3
Name methyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]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/C19H19ClN2O3S3/c1-25-18(24)15-11-5-3-4-6-14(11)28-17(15)22-19(26)21-16(23)12-9-10(27-2)7-8-13(12)20/h7-9H,3-6H2,1-2H3,(H2,21,22,23,26)
InChIKey ZOGFTGXGVQZCOI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6973
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: 9686607; UBI_ID: UBI-006975
Temperature 308 °C