2-Chloranyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide

SpectraBase Compound ID	jsn0ySsg1y
InChI	InChI=1S/C19H18ClN3OS2/c20-15-9-6-5-8-13(15)17(24)22-19(25)23-18-14(11-21)12-7-3-1-2-4-10-16(12)26-18/h5-6,8-9H,1-4,7,10H2,(H2,22,23,24,25)
InChIKey	AIFOWXOCGXSATK-UHFFFAOYSA-N Google Search
Mol Weight	403.95 g/mol
Molecular Formula	C19H18ClN3OS2
Exact Mass	403.057982 g/mol

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SpectraBase Spectrum ID	AmBpBdwOLls
Name	thiourea, N-(2-chlorobenzoyl)-N'-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	403.057982259 u
Formula	C19H18ClN3OS2
InChI	InChI=1S/C19H18ClN3OS2/c20-15-9-6-5-8-13(15)17(24)22-19(25)23-18-14(11-21)12-7-3-1-2-4-10-16(12)26-18/h5-6,8-9H,1-4,7,10H2,(H2,22,23,24,25)
InChIKey	AIFOWXOCGXSATK-UHFFFAOYSA-N
Molecular Weight	403.946 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_11716
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271367; Lab Info: OBK; Lab Number: OBK-0003639