ethyl 4-(4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioamido)benzoate

SpectraBase Compound ID	IsWFnyUx39u
InChI	InChI=1S/C21H30N4O3S/c1-2-28-18(26)16-6-8-17(9-7-16)23-20(29)24-14-10-21(11-15-24,19(22)27)25-12-4-3-5-13-25/h6-9H,2-5,10-15H2,1H3,(H2,22,27)(H,23,29)
InChIKey	RGCLMSHSTOWZPE-UHFFFAOYSA-N Google Search
Mol Weight	418.56 g/mol
Molecular Formula	C21H30N4O3S
Exact Mass	418.203862 g/mol

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SpectraBase Spectrum ID	5o6HUKIEVuJ
Name	ethyl 4-(4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioamido)benzoate
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/C21H30N4O3S/c1-2-28-18(26)16-6-8-17(9-7-16)23-20(29)24-14-10-21(11-15-24,19(22)27)25-12-4-3-5-13-25/h6-9H,2-5,10-15H2,1H3,(H2,22,27)(H,23,29)
InChIKey	RGCLMSHSTOWZPE-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3183
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: D09156; Labnumber: VGU-20523; SBI_ID: SBI-003185
Temperature	315 °C