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methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID GWTt0lFeXWN
InChI InChI=1S/C28H25N3O3S2/c1-34-27(33)24-19-13-6-3-7-15-23(19)36-26(24)31-28(35)30-25(32)20-16-22(17-10-4-2-5-11-17)29-21-14-9-8-12-18(20)21/h2,4-5,8-12,14,16H,3,6-7,13,15H2,1H3,(H2,30,31,32,35)
InChIKey IVNAMNHQOPKVOE-UHFFFAOYSA-N
Mol Weight 515.65 g/mol
Molecular Formula C28H25N3O3S2
Exact Mass 515.133734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 74VeATOf5xV
Name methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]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/C28H25N3O3S2/c1-34-27(33)24-19-13-6-3-7-15-23(19)36-26(24)31-28(35)30-25(32)20-16-22(17-10-4-2-5-11-17)29-21-14-9-8-12-18(20)21/h2,4-5,8-12,14,16H,3,6-7,13,15H2,1H3,(H2,30,31,32,35)
InChIKey IVNAMNHQOPKVOE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9003
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: 1000194; UBI_ID: UBI-009006
Temperature 313 °C