1-[N-Acetylsulfanylyl]-2-(benzoylmethylene)-hexahydropyrimidine

SpectraBase Compound ID	8m8iQ1R71ti
InChI	InChI=1S/C20H21N3O4S/c1-15(24)22-17-8-10-18(11-9-17)28(26,27)23-13-5-12-21-20(23)14-19(25)16-6-3-2-4-7-16/h2-4,6-11,14,21H,5,12-13H2,1H3,(H,22,24)/b20-14+
InChIKey	BQKHHYYLAYXKGI-XSFVSMFZSA-N Google Search
Mol Weight	399.47 g/mol
Molecular Formula	C20H21N3O4S
Exact Mass	399.125277 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4qFNLGWIPA
Name	1-[N-Acetylsulfanylyl]-2-(benzoylmethylene)-hexahydropyrimidine
Alternate Name(s)	N-[4-[[(2E)-2-phenacylidene-1,3-diazinan-1-yl]sulfonyl]phenyl]acetamide N-[4-[[(2E)-2-phenacylidene-1,3-diazinan-1-yl]sulfonyl]phenyl]ethanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H21N3O4S
InChI	InChI=1S/C20H21N3O4S/c1-15(24)22-17-8-10-18(11-9-17)28(26,27)23-13-5-12-21-20(23)14-19(25)16-6-3-2-4-7-16/h2-4,6-11,14,21H,5,12-13H2,1H3,(H,22,24)/b20-14+
InChIKey	BQKHHYYLAYXKGI-XSFVSMFZSA-N
Molecular Weight	399.465 g/mol
SMILES	N1CCCN(S(c2ccc(NC(=O)C)cc2)(=O)=O)\C1=C/C(=O)c1ccccc1
SPLASH	splash10-0a59-0859400000-30d6aa1b1d66bb33b981
Source of Spectrum	SK-28-4245-5
Wiley ID	880230