Benzoic acid, 4-[[[3-(acetylamino)-1-piperidinyl]carbonothioyl]amino]-, ethyl ester

SpectraBase Compound ID	BZnv2SocA15
InChI	InChI=1S/C17H23N3O3S/c1-3-23-16(22)13-6-8-14(9-7-13)19-17(24)20-10-4-5-15(11-20)18-12(2)21/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,21)(H,19,24)
InChIKey	CKYAWWHNHAEREQ-UHFFFAOYSA-N Google Search
Mol Weight	349.45 g/mol
Molecular Formula	C17H23N3O3S
Exact Mass	349.146013 g/mol

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SpectraBase Spectrum ID	7p9FZtoZOpA
Name	Benzoic acid, 4-[[[3-(acetylamino)-1-piperidinyl]carbonothioyl]amino]-, ethyl ester
Alternate Name(s)	4-[[(3-acetamido-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester Ethyl 4-[(3-acetamidopiperidine-1-carbothioyl)amino]benzoate Ethyl 4-[(3-acetamidopiperidin-1-yl)carbothioylamino]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H23N3O3S
InChI	InChI=1S/C17H23N3O3S/c1-3-23-16(22)13-6-8-14(9-7-13)19-17(24)20-10-4-5-15(11-20)18-12(2)21/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,21)(H,19,24)
InChIKey	CKYAWWHNHAEREQ-UHFFFAOYSA-N
Molecular Weight	349.449 g/mol
SMILES	N(C1CN(C(Nc2ccc(C(OCC)=O)cc2)=S)CCC1)C(C)=O
SPLASH	splash10-000x-9100000000-e693e2a40d161a0ca67c
Source of Spectrum	IY-2-4902-0
Wiley ID	1657003