For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[[2-[3-[(4-chlorobenzoyl)amino]-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester
SpectraBase Compound ID 6fu3yYz3pgX
InChI InChI=1S/C22H21ClN4O5S/c1-3-32-21(31)14-6-10-16(11-7-14)24-18(28)12-17-20(30)26(2)22(33)27(17)25-19(29)13-4-8-15(23)9-5-13/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKey MNTJLNFDLPPIHD-UHFFFAOYSA-N
Mol Weight 488.95 g/mol
Molecular Formula C22H21ClN4O5S
Exact Mass 488.092119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HOD8h73b6Bt
Name 4-[[2-[3-[(4-chlorobenzoyl)amino]-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester
Alternate Name(s) 4-[[2-[3-[[(4-chlorophenyl)-oxomethyl]amino]-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[3-[(4-chlorophenyl)carbonylamino]-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Ethyl 4-[[2-[3-[(4-chlorobenzoyl)amino]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Ethyl 4-[[2-[3-[(4-chlorobenzoyl)amino]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN4O5S
InChI InChI=1S/C22H21ClN4O5S/c1-3-32-21(31)14-6-10-16(11-7-14)24-18(28)12-17-20(30)26(2)22(33)27(17)25-19(29)13-4-8-15(23)9-5-13/h4-11,17H,3,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKey MNTJLNFDLPPIHD-UHFFFAOYSA-N
Molecular Weight 488.946 g/mol
SMILES N(C(CC1C(N(C(N1NC(c1ccc(cc1)Cl)=O)=S)C)=O)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-000l-4900000000-d3233246f69392d79dc1
Wiley ID 1443613