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Acetamide, 2-[[4-cyano-3-[[2-[[4-(diethylamino)phenyl]amino]-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-[4-(diethylamino)phenyl]-
SpectraBase Compound ID EbwN1UwHzVF
InChI InChI=1S/C28H34N6O2S3/c1-5-33(6-2)22-13-9-20(10-14-22)30-25(35)18-37-27-24(17-29)28(39-32-27)38-19-26(36)31-21-11-15-23(16-12-21)34(7-3)8-4/h9-16H,5-8,18-19H2,1-4H3,(H,30,35)(H,31,36)
InChIKey ZGSRUIQRODUPTF-UHFFFAOYSA-N
Mol Weight 582.8 g/mol
Molecular Formula C28H34N6O2S3
Exact Mass 582.190538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xU4cbqafyE
Name Acetamide, 2-[[4-cyano-3-[[2-[[4-(diethylamino)phenyl]amino]-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-[4-(diethylamino)phenyl]-
Alternate Name(s) 2-[[4-cyano-3-[[2-[4-(diethylamino)anilino]-2-oxoethyl]thio]-5-isothiazolyl]thio]-N-[4-(diethylamino)phenyl]acetamide 2-[[4-cyano-3-[2-[4-(diethylamino)anilino]-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-[4-(diethylamino)phenyl]acetamide 2-[4-cyano-3-[2-[4-(diethylamino)anilino]-2-oxo-ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-[4-(diethylamino)phenyl]acetamide 2-[[4-cyano-3-[2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-[4-(diethylamino)phenyl]ethanamide
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Formula C28H34N6O2S3
InChI InChI=1S/C28H34N6O2S3/c1-5-33(6-2)22-13-9-20(10-14-22)30-25(35)18-37-27-24(17-29)28(39-32-27)38-19-26(36)31-21-11-15-23(16-12-21)34(7-3)8-4/h9-16H,5-8,18-19H2,1-4H3,(H,30,35)(H,31,36)
InChIKey ZGSRUIQRODUPTF-UHFFFAOYSA-N
Molecular Weight 582.800 g/mol
SMILES N(C(CSc1snc(SCC(=O)Nc2ccc(cc2)N(CC)CC)c1C#N)=O)c1ccc(cc1)N(CC)CC
SPLASH splash10-01ox-5920000000-28780af01e0f30d1e84d
Source of Spectrum IY-1-4592-2
Wiley ID 1653905