N~1~,N~3~-bis[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]isophthalamide

SpectraBase Compound ID	9pPIFiohrUl
InChI	InChI=1S/C28H30N4O4S2/c1-13-6-8-17-19(10-13)37-27(21(17)23(29)33)31-25(35)15-4-3-5-16(12-15)26(36)32-28-22(24(30)34)18-9-7-14(2)11-20(18)38-28/h3-5,12-14H,6-11H2,1-2H3,(H2,29,33)(H2,30,34)(H,31,35)(H,32,36)
InChIKey	HNQHYYMOBWNMKC-UHFFFAOYSA-N Google Search
Mol Weight	550.69 g/mol
Molecular Formula	C28H30N4O4S2
Exact Mass	550.170848 g/mol

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SpectraBase Spectrum ID	9pmmGKfedmc
Name	N~1~,N~3~-bis[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]isophthalamide
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/C28H30N4O4S2/c1-13-6-8-17-19(10-13)37-27(21(17)23(29)33)31-25(35)15-4-3-5-16(12-15)26(36)32-28-22(24(30)34)18-9-7-14(2)11-20(18)38-28/h3-5,12-14H,6-11H2,1-2H3,(H2,29,33)(H2,30,34)(H,31,35)(H,32,36)
InChIKey	HNQHYYMOBWNMKC-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7781
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/9012571; UBI_ID: UBI-007784
Temperature	318 °C