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methyl 2-[({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-[({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4ZpIVSERtta
InChI InChI=1S/C21H24N2O4S3/c1-26-19(24)15-11-7-3-5-9-13(11)29-17(15)22-21(28)23-18-16(20(25)27-2)12-8-4-6-10-14(12)30-18/h3-10H2,1-2H3,(H2,22,23,28)
InChIKey NSEDQVDBQAQCFW-UHFFFAOYSA-N
Mol Weight 464.61 g/mol
Molecular Formula C21H24N2O4S3
Exact Mass 464.089821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ChEBUxZhZll
Name methyl 2-[({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]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/C21H24N2O4S3/c1-26-19(24)15-11-7-3-5-9-13(11)29-17(15)22-21(28)23-18-16(20(25)27-2)12-8-4-6-10-14(12)30-18/h3-10H2,1-2H3,(H2,22,23,28)
InChIKey NSEDQVDBQAQCFW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7754
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/1269461; Labnumber: COL6060; UZI_ID: UZI-007756
Temperature 318 °C