2-{[4-(4-morpholinyl)-3-nitrobenzoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

SpectraBase Compound ID	7npX6MOOORf
InChI	InChI=1S/C21H24N4O5S/c22-19(26)18-14-4-2-1-3-5-17(14)31-21(18)23-20(27)13-6-7-15(16(12-13)25(28)29)24-8-10-30-11-9-24/h6-7,12H,1-5,8-11H2,(H2,22,26)(H,23,27)
InChIKey	BWMCRTJMEQZZSZ-UHFFFAOYSA-N Google Search
Mol Weight	444.51 g/mol
Molecular Formula	C21H24N4O5S
Exact Mass	444.146741 g/mol

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SpectraBase Spectrum ID	CYpXlyIGgAT
Name	2-{[4-(4-morpholinyl)-3-nitrobenzoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
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/C21H24N4O5S/c22-19(26)18-14-4-2-1-3-5-17(14)31-21(18)23-20(27)13-6-7-15(16(12-13)25(28)29)24-8-10-30-11-9-24/h6-7,12H,1-5,8-11H2,(H2,22,26)(H,23,27)
InChIKey	BWMCRTJMEQZZSZ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_35571
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: E91428; SBI_ID: SBI-035575
Temperature	308 °C