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N-[2-({2-[3-chloro-4-(4-morpholinyl)anilino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
SpectraBase Compound ID 9ehoQuNInK7
InChI InChI=1S/C22H23ClN4O3S2/c1-2-20(28)24-15-3-5-17-19(12-15)32-22(26-17)31-13-21(29)25-14-4-6-18(16(23)11-14)27-7-9-30-10-8-27/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,28)(H,25,29)
InChIKey DSMRAXPLHGAWCP-UHFFFAOYSA-N
Mol Weight 491.02 g/mol
Molecular Formula C22H23ClN4O3S2
Exact Mass 490.090011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B4Bau3w0JdA
Name N-[2-({2-[3-chloro-4-(4-morpholinyl)anilino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide
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/C22H23ClN4O3S2/c1-2-20(28)24-15-3-5-17-19(12-15)32-22(26-17)31-13-21(29)25-14-4-6-18(16(23)11-14)27-7-9-30-10-8-27/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,28)(H,25,29)
InChIKey DSMRAXPLHGAWCP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1526
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: C96384; Labnumber: SPKOL-4093; SBI_ID: SBI-001528
Temperature 308 °C