(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(hexyloxy)phenyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide

SpectraBase Compound ID	9QJBt5hG1yq
InChI	InChI=1S/C32H32F3N3O5S/c1-2-3-4-5-15-41-25-12-10-23(11-13-25)36-30(40)28-18-29(39)38(19-21-9-14-26-27(16-21)43-20-42-26)31(44-28)37-24-8-6-7-22(17-24)32(33,34)35/h6-14,16-17,28H,2-5,15,18-20H2,1H3,(H,36,40)/b37-31-
InChIKey	NZVSAHKKUMNPHM-OXKNFPIISA-N Google Search
Mol Weight	627.7 g/mol
Molecular Formula	C32H32F3N3O5S
Exact Mass	627.201477 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	C3tKnQzH3i1
Name	(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(hexyloxy)phenyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-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/C32H32F3N3O5S/c1-2-3-4-5-15-41-25-12-10-23(11-13-25)36-30(40)28-18-29(39)38(19-21-9-14-26-27(16-21)43-20-42-26)31(44-28)37-24-8-6-7-22(17-24)32(33,34)35/h6-14,16-17,28H,2-5,15,18-20H2,1H3,(H,36,40)/b37-31-
InChIKey	NZVSAHKKUMNPHM-OXKNFPIISA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20492
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: D18670; Labnumber: MPOL-13381; SBI_ID: SBI-020496
Synonyms	3-(1,3-benzodioxol-5-ylmethyl)-N-[4-(hexyloxy)phenyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide
Temperature	318 °C