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Ethyl 2-[2'-(4"-benzyl-1"-piperidinyl)thiocarbamoyl]phenylthio]acylamino]-thiazol-4-acetate
SpectraBase Compound ID A4HF2eygFR2
InChI InChI=1S/C28H31N3O3S3/c1-2-34-24(32)18-23-19-36-27(29-23)30-26(33)25(22-11-7-4-8-12-22)37-28(35)31-15-13-21(14-16-31)17-20-9-5-3-6-10-20/h3-12,19,21,25H,2,13-18H2,1H3,(H,29,30,33)
InChIKey HEFUNAAFYVVUMY-UHFFFAOYSA-N
Mol Weight 553.75 g/mol
Molecular Formula C28H31N3O3S3
Exact Mass 553.152755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JEXjnw5rs
Name Ethyl 2-[2'-(4"-benzyl-1"-piperidinyl)thiocarbamoyl]phenylthio]acylamino]-thiazol-4-acetate
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Formula C28H31N3O3S3
InChI InChI=1S/C28H31N3O3S3/c1-2-34-24(32)18-23-19-36-27(29-23)30-26(33)25(22-11-7-4-8-12-22)37-28(35)31-15-13-21(14-16-31)17-20-9-5-3-6-10-20/h3-12,19,21,25H,2,13-18H2,1H3,(H,29,30,33)
InChIKey HEFUNAAFYVVUMY-UHFFFAOYSA-N
Molecular Weight 553.754 g/mol
SMILES N(c1nc(CC(=O)OCC)cs1)C(C(SC(N1CCC(Cc2ccccc2)CC1)=S)c1ccccc1)=O
SPLASH splash10-000l-6926000000-1c0d6665f5bb08045866
Source of Spectrum D9-336-45-3
Synonyms Ethyl 2-(2-(2-(4-benzylpiperidine-1-carbonothioylthio)-2-phenylacetamido)thiazol-4-yl)acetate 2-[2-[[1-oxo-2-phenyl-2-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester Ethyl 2-[2-[[2-(4-benzylpiperidine-1-carbothioyl)sulfanyl-2-phenylacetyl]amino]-1,3-thiazol-4-yl]acetate Ethyl 2-[2-[[2-(4-benzylpiperidine-1-carbothioyl)sulfanyl-2-phenyl-acetyl]amino]thiazol-4-yl]acetate Ethyl 2-(2-(2-((4-benzylpiperidine-1-carbonothioyl)thio)-2-phenylacetamido)thiazol-4-yl)acetate Ethyl 2-[2-[[2-phenyl-2-[4-(phenylmethyl)piperidin-1-yl]carbothioylsulfanyl-ethanoyl]amino]-1,3-thiazol-4-yl]ethanoate
Wiley ID 1551037