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4-[4-[2-(4-chloroanilino)-2-keto-ethyl]-5-keto-3-(2-morpholinoethyl)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID KuT7HvTi5W4
InChI InChI=1S/C26H29ClN4O5S/c1-2-36-25(34)18-3-9-21(10-4-18)31-24(33)22(17-23(32)28-20-7-5-19(27)6-8-20)30(26(31)37)12-11-29-13-15-35-16-14-29/h3-10,22H,2,11-17H2,1H3,(H,28,32)
InChIKey QNAWKDMESFYORO-UHFFFAOYSA-N
Mol Weight 545.05 g/mol
Molecular Formula C26H29ClN4O5S
Exact Mass 544.154719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDwMqAv8x00
Name 4-[4-[2-(4-chloroanilino)-2-keto-ethyl]-5-keto-3-(2-morpholinoethyl)-2-thioxo-imidazolidin-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-morpholinyl)ethyl]-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzoic acid ethyl ester Ethyl 4-[4-[2-(4-chloroanilino)-2-oxo-ethyl]-3-(2-morpholinoethyl)-5-oxo-2-thioxo-imidazolidin-1-yl]benzoate Ethyl 4-[4-[2-(4-chloroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate Ethyl 4-[4-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-3-(2-morpholin-4-ylethyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzoate
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Formula C26H29ClN4O5S
InChI InChI=1S/C26H29ClN4O5S/c1-2-36-25(34)18-3-9-21(10-4-18)31-24(33)22(17-23(32)28-20-7-5-19(27)6-8-20)30(26(31)37)12-11-29-13-15-35-16-14-29/h3-10,22H,2,11-17H2,1H3,(H,28,32)
InChIKey QNAWKDMESFYORO-UHFFFAOYSA-N
Molecular Weight 545.054 g/mol
SMILES N(C(=O)CC1C(N(C(N1CCN1CCOCC1)=S)c1ccc(cc1)C(OCC)=O)=O)c1ccc(cc1)Cl
SPLASH splash10-0udi-8900000000-66851590a397b17ac9aa
Wiley ID 1445607