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

*Links on SpectraBase are not permalinks.
4-[4-[2-(4-chloroanilino)-2-keto-ethyl]-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID 3jW8YqZ8QnO
InChI InChI=1S/C27H22ClFN4O5S/c1-2-38-26(37)16-6-12-21(13-7-16)32-25(36)22(15-23(34)30-20-10-8-18(28)9-11-20)33(27(32)39)31-24(35)17-4-3-5-19(29)14-17/h3-14,22H,2,15H2,1H3,(H,30,34)(H,31,35)
InChIKey FQITUYZIKJBMGC-UHFFFAOYSA-N
Mol Weight 569.01 g/mol
Molecular Formula C27H22ClFN4O5S
Exact Mass 568.098347 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 6w2gXX47Yqe
Name 4-[4-[2-(4-chloroanilino)-2-keto-ethyl]-3-[(3-fluorobenzoyl)amino]-5-keto-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-[[(3-fluorophenyl)-oxomethyl]amino]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-[2-(4-chloroanilino)-2-oxo-ethyl]-3-[(3-fluorobenzoyl)amino]-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-[(3-fluorobenzoyl)amino]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Ethyl 4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-3-[(3-fluorophenyl)carbonylamino]-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22ClFN4O5S
InChI InChI=1S/C27H22ClFN4O5S/c1-2-38-26(37)16-6-12-21(13-7-16)32-25(36)22(15-23(34)30-20-10-8-18(28)9-11-20)33(27(32)39)31-24(35)17-4-3-5-19(29)14-17/h3-14,22H,2,15H2,1H3,(H,30,34)(H,31,35)
InChIKey FQITUYZIKJBMGC-UHFFFAOYSA-N
Molecular Weight 569.007 g/mol
SMILES N(C(CC1C(N(C(N1NC(c1cccc(F)c1)=O)=S)c1ccc(cc1)C(OCC)=O)=O)=O)c1ccc(cc1)Cl
SPLASH splash10-03di-5920000000-a2a40bcdfaee140c4c8a
Wiley ID 1443603