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methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 100e9IM6xOd
InChI InChI=1S/C26H21N3O3S2/c1-32-25(31)22-17-11-7-13-21(17)34-24(22)29-26(33)28-23(30)18-14-20(15-8-3-2-4-9-15)27-19-12-6-5-10-16(18)19/h2-6,8-10,12,14H,7,11,13H2,1H3,(H2,28,29,30,33)
InChIKey VKENLJUUCSDWQV-UHFFFAOYSA-N
Mol Weight 487.59 g/mol
Molecular Formula C26H21N3O3S2
Exact Mass 487.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F8E6BjMbkYm
Name methyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[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/C26H21N3O3S2/c1-32-25(31)22-17-11-7-13-21(17)34-24(22)29-26(33)28-23(30)18-14-20(15-8-3-2-4-9-15)27-19-12-6-5-10-16(18)19/h2-6,8-10,12,14H,7,11,13H2,1H3,(H2,28,29,30,33)
InChIKey VKENLJUUCSDWQV-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9002
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: 1001948; UBI_ID: UBI-009005
Temperature 313 °C