N-(4-bromophenyl)-2-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanyl-acetamide

SpectraBase Compound ID	EQtha4Q9tie
InChI	InChI=1S/C20H17BrN2O2S/c21-15-8-10-16(11-9-15)22-19(24)12-26-13-20(25)23-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKey	FCRUGNATEYTMFE-UHFFFAOYSA-N Google Search
Mol Weight	429.33 g/mol
Molecular Formula	C20H17BrN2O2S
Exact Mass	428.019412 g/mol

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SpectraBase Spectrum ID	1tTpGQBkphl
Name	N-(4-Bromophenyl)-2-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanyl-acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	428.019411967 u
Formula	C20H17BrN2O2S
InChI	InChI=1S/C20H17BrN2O2S/c21-15-8-10-16(11-9-15)22-19(24)12-26-13-20(25)23-18-7-3-5-14-4-1-2-6-17(14)18/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKey	FCRUGNATEYTMFE-UHFFFAOYSA-N
Molecular Weight	429.332 g/mol
SMILES	C1(NC(=O)CSCC(NC2=CC=C(C=C2)Br)=O)=C2C(C=CC=C2)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.954953