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

*Links on SpectraBase are not permalinks.
benzoic acid, 4-[[[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID A81ARwTeZmU
InChI InChI=1S/C27H23Cl2N3O4S/c1-36-26(35)18-7-9-19(10-8-18)30-24(33)16-23-25(34)32(20-11-12-21(28)22(29)15-20)27(37)31(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14,16H2,1H3,(H,30,33)
InChIKey VPYXFUQYXLVJFY-UHFFFAOYSA-N
Mol Weight 556.46 g/mol
Molecular Formula C27H23Cl2N3O4S
Exact Mass 555.078633 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 8LrVhlA0zex
Name 4-[[2-[1-(3,4-dichlorophenyl)-5-keto-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23Cl2N3O4S
InChI InChI=1S/C27H23Cl2N3O4S/c1-36-26(35)18-7-9-19(10-8-18)30-24(33)16-23-25(34)32(20-11-12-21(28)22(29)15-20)27(37)31(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14,16H2,1H3,(H,30,33)
InChIKey VPYXFUQYXLVJFY-UHFFFAOYSA-N
Molecular Weight 556.464 g/mol
SMILES N(C(CC1C(N(C(N1CCc1ccccc1)=S)c1cc(Cl)c(cc1)Cl)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-0zfr-6930010000-1d2d6f2c14526a84c317
Synonyms Methyl 4-[[2-[1-(3,4-dichlorophenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate 4-[[2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 4-[[2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Methyl 4-[[2-[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Wiley ID 1455074