N-[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide

SpectraBase Compound ID	3kEjEQ2qWqJ
InChI	InChI=1S/C27H25N3O2S/c1-15-6-5-7-17(12-15)22-14-20(18-8-3-4-9-21(18)29-22)26(32)30-27-24(25(28)31)19-11-10-16(2)13-23(19)33-27/h3-9,12,14,16H,10-11,13H2,1-2H3,(H2,28,31)(H,30,32)
InChIKey	CVBZHCMKVKNHKL-UHFFFAOYSA-N Google Search
Mol Weight	455.58 g/mol
Molecular Formula	C27H25N3O2S
Exact Mass	455.166748 g/mol

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SpectraBase Spectrum ID	Bjb3lRp1gF1
Name	N-[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide
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/C27H25N3O2S/c1-15-6-5-7-17(12-15)22-14-20(18-8-3-4-9-21(18)29-22)26(32)30-27-24(25(28)31)19-11-10-16(2)13-23(19)33-27/h3-9,12,14,16H,10-11,13H2,1-2H3,(H2,28,31)(H,30,32)
InChIKey	CVBZHCMKVKNHKL-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_5763
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: UZI/8171985; UBI_ID: UBI-005765
Temperature	313 °C