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Benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-3-[(2-thienylcarbonyl)amino]-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID 4LjybLbXWkv
InChI InChI=1S/C25H21FN4O5S2/c1-2-35-24(34)15-5-11-18(12-6-15)29-23(33)19(14-21(31)27-17-9-7-16(26)8-10-17)30(25(29)36)28-22(32)20-4-3-13-37-20/h3-13,19H,2,14H2,1H3,(H,27,31)(H,28,32)
InChIKey FQXWWQULJPHMOT-UHFFFAOYSA-N
Mol Weight 540.58 g/mol
Molecular Formula C25H21FN4O5S2
Exact Mass 540.09374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVSjfE4qZq
Name Benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-3-[(2-thienylcarbonyl)amino]-2-thioxo-1-imidazolidinyl]-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21FN4O5S2
InChI InChI=1S/C25H21FN4O5S2/c1-2-35-24(34)15-5-11-18(12-6-15)29-23(33)19(14-21(31)27-17-9-7-16(26)8-10-17)30(25(29)36)28-22(32)20-4-3-13-37-20/h3-13,19H,2,14H2,1H3,(H,27,31)(H,28,32)
InChIKey FQXWWQULJPHMOT-UHFFFAOYSA-N
Molecular Weight 540.584 g/mol
SMILES N(C(=O)c1cccs1)N1C(N(C(C1CC(Nc1ccc(cc1)F)=O)=O)c1ccc(cc1)C(OCC)=O)=S
SPLASH splash10-03di-4920000000-7ddd87dc762be3e399a6
Source of Spectrum IY-1-4699-3
Synonyms 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]-5-oxo-3-(thiophene-2-carbonylamino)-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-2-sulfanylidene-3-(thiophen-2-ylcarbonylamino)imidazolidin-1-yl]benzoate
Wiley ID 1654976