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4-chloro-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
SpectraBase Compound ID LCHScyAuZVH
InChI InChI=1S/C20H18ClN3O2S2/c21-14-5-3-13(4-6-14)19(26)22-15-7-8-16-17(11-15)28-20(23-16)27-12-18(25)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H,22,26)
InChIKey JLFUZORBDUPSCF-UHFFFAOYSA-N
Mol Weight 431.96 g/mol
Molecular Formula C20H18ClN3O2S2
Exact Mass 431.052897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 21ao1jOefKA
Name 4-chloro-N-(2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
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/C20H18ClN3O2S2/c21-14-5-3-13(4-6-14)19(26)22-15-7-8-16-17(11-15)28-20(23-16)27-12-18(25)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H,22,26)
InChIKey JLFUZORBDUPSCF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1529
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: C96387; Labnumber: SPKOL-4157; SBI_ID: SBI-001531
Temperature 308 °C