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

View entire compound with spectra: 1 NMR

ethyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Cn7glcvnOq3
InChI InChI=1S/C20H21ClN2O3S3/c1-3-26-19(25)16-12-6-4-5-7-15(12)29-18(16)23-20(27)22-17(24)13-10-11(28-2)8-9-14(13)21/h8-10H,3-7H2,1-2H3,(H2,22,23,24,27)
InChIKey CHVZFUJPSNCPTJ-UHFFFAOYSA-N
Mol Weight 469.03 g/mol
Molecular Formula C20H21ClN2O3S3
Exact Mass 468.040284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K8StMSj2eJK
Name ethyl 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/C20H21ClN2O3S3/c1-3-26-19(25)16-12-6-4-5-7-15(12)29-18(16)23-20(27)22-17(24)13-10-11(28-2)8-9-14(13)21/h8-10H,3-7H2,1-2H3,(H2,22,23,24,27)
InChIKey CHVZFUJPSNCPTJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6972
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: 9686842; UBI_ID: UBI-006974
Temperature 308 °C