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thiourea, N'-(3-chloro-4-fluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-(2-furanylmethyl)-
SpectraBase Compound ID 3PBdfOe2bkc
InChI InChI=1S/C21H21ClFN3OS/c1-25(2)17-8-5-15(6-9-17)13-26(14-18-4-3-11-27-18)21(28)24-16-7-10-20(23)19(22)12-16/h3-12H,13-14H2,1-2H3,(H,24,28)
InChIKey ZKUZYWWLHJNXLY-UHFFFAOYSA-N
Mol Weight 417.93 g/mol
Molecular Formula C21H21ClFN3OS
Exact Mass 417.107789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jG6XoZEGJ4
Name 3-(3-Chloro-4-fluoro-phenyl)-1-[4-(dimethylamino)benzyl]-1-(2-furfuryl)thiourea
Alternate Name(s) 3-(3-Chloro-4-fluorophenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(furan-2-ylmethyl)thiourea 3-(3-Chloro-4-fluorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-furanylmethyl)thiourea 3-(3-Chloro-4-fluorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(furan-2-ylmethyl)thiourea 3-(3-Chloro-4-fluoro-phenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-furylmethyl)thiourea
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Formula C21H21ClFN3OS
InChI InChI=1S/C21H21ClFN3OS/c1-25(2)17-8-5-15(6-9-17)13-26(14-18-4-3-11-27-18)21(28)24-16-7-10-20(23)19(22)12-16/h3-12H,13-14H2,1-2H3,(H,24,28)
InChIKey ZKUZYWWLHJNXLY-UHFFFAOYSA-N
Molecular Weight 417.930 g/mol
SMILES N(C(N(Cc1occc1)Cc1ccc(cc1)N(C)C)=S)c1cc(Cl)c(cc1)F
SPLASH splash10-001i-4900000000-5c27e6216cf192ea315e
Wiley ID 1461962