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N-(5-Bromo-2-(4-(thiophen-2-carbonyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
SpectraBase Compound ID 2bL5eZwbL2D
InChI InChI=1S/C31H25BrN4O3S/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-40-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)39-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30-
InChIKey XKNVRGSSSSKNOC-MEIHLTSWSA-N
Mol Weight 613.53 g/mol
Molecular Formula C31H25BrN4O3S
Exact Mass 612.083075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RsODLNAl2O
Name N-(5-Bromo-2-(4-(thiophen-2-carbonyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Alternate Name(s) (Z)-N-(5-bromo-2-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)-2-(phenylimino)-2H-chromene-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25BrN4O3S
InChI InChI=1S/C31H25BrN4O3S/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-40-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)39-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30-
InChIKey XKNVRGSSSSKNOC-MEIHLTSWSA-N
Literature Reference DOI 10.1016/j.bmc.2013.01.064
Molecular Weight 613.530 g/mol
SMILES N(C(C1=Cc2c(cccc2)O\C1=N\c1ccccc1)=O)c1c(ccc(Br)c1)N1CCN(CC1)C(c1cccs1)=O
SPLASH splash10-006t-1190042000-1738e9588bdd125d5983
Source of Spectrum G2-21-2411-9n
Wiley ID 1754136