6-[3-(m-Chlorophenyl)-2-thioureido]-m-toluic acid, ethyl ester

SpectraBase Compound ID	KsySGC2APwG
InChI	InChI=1S/C17H17ClN2O2S/c1-3-22-16(21)14-9-11(2)7-8-15(14)20-17(23)19-13-6-4-5-12(18)10-13/h4-10H,3H2,1-2H3,(H2,19,20,23)
InChIKey	FQGRNNZNDUAMJS-UHFFFAOYSA-N Google Search
Mol Weight	348.85 g/mol
Molecular Formula	C17H17ClN2O2S
Exact Mass	348.069927 g/mol

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SpectraBase Spectrum ID	GveyBoLlylv
Name	6-[3-(m-Chlorophenyl)-2-thioureido]-m-toluic acid, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	348.069926667 u
Formula	C17H17ClN2O2S
InChI	InChI=1S/C17H17ClN2O2S/c1-3-22-16(21)14-9-11(2)7-8-15(14)20-17(23)19-13-6-4-5-12(18)10-13/h4-10H,3H2,1-2H3,(H2,19,20,23)
InChIKey	FQGRNNZNDUAMJS-UHFFFAOYSA-N
Molecular Weight	348.848 g/mol
SMILES	N(C1=CC=CC(=C1)Cl)C(NC=1C=CC(=CC1C(OCC)=O)C)=S