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ethyl 2-({[(2-methylbenzoyl)amino]carbothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID Bsv5Lcmx63u
InChI InChI=1S/C21H24N2O3S2/c1-3-26-20(25)17-15-11-5-4-6-12-16(15)28-19(17)23-21(27)22-18(24)14-10-8-7-9-13(14)2/h7-10H,3-6,11-12H2,1-2H3,(H2,22,23,24,27)
InChIKey RZIYSIVHKHQZDZ-UHFFFAOYSA-N
Mol Weight 416.55 g/mol
Molecular Formula C21H24N2O3S2
Exact Mass 416.122835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ee4ywhqNgLs
Name ethyl 2-({[(2-methylbenzoyl)amino]carbothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C21H24N2O3S2/c1-3-26-20(25)17-15-11-5-4-6-12-16(15)28-19(17)23-21(27)22-18(24)14-10-8-7-9-13(14)2/h7-10H,3-6,11-12H2,1-2H3,(H2,22,23,24,27)
InChIKey RZIYSIVHKHQZDZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4548
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: 9685131; UBI_ID: UBI-004549
Temperature 308 °C