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N-[4-(aminosulfonyl)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

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N-[4-(aminosulfonyl)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID EP6D0MEbBuW
InChI InChI=1S/C24H21ClN4O4S3/c25-14-5-9-16(10-6-14)29-23(31)21-18-3-1-2-4-19(18)35-22(21)28-24(29)34-13-20(30)27-15-7-11-17(12-8-15)36(26,32)33/h5-12H,1-4,13H2,(H,27,30)(H2,26,32,33)
InChIKey WZNPTKRBSRELPS-UHFFFAOYSA-N
Mol Weight 561.09 g/mol
Molecular Formula C24H21ClN4O4S3
Exact Mass 560.041346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AQ63xALIgHw
Name N-[4-(aminosulfonyl)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
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/C24H21ClN4O4S3/c25-14-5-9-16(10-6-14)29-23(31)21-18-3-1-2-4-19(18)35-22(21)28-24(29)34-13-20(30)27-15-7-11-17(12-8-15)36(26,32)33/h5-12H,1-4,13H2,(H,27,30)(H2,26,32,33)
InChIKey WZNPTKRBSRELPS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19298
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: D13291; Labnumber: GRES-04642; SBI_ID: SBI-019301
Temperature 315 °C