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N-[3-(Cyclohexylamino)propyl]-2-[(4-iodophenylcarbonyl)amino]-1,3-thiazol-4-yl-acetamide dihydrochloride
SpectraBase Compound ID JwP8BMACJWt
InChI InChI=1S/C21H27IN4O2S.2ClH/c22-16-9-7-15(8-10-16)20(28)26-21-25-18(14-29-21)13-19(27)24-12-4-11-23-17-5-2-1-3-6-17;;/h7-10,14,17,23H,1-6,11-13H2,(H,24,27)(H,25,26,28);2*1H
InChIKey MHQHRABZFOJKIQ-UHFFFAOYSA-N
Mol Weight 599.36 g/mol
Molecular Formula C21H29Cl2IN4O2S
Exact Mass 598.043298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxODsdORwre
Name N-[3-(Cyclohexylamino)propyl]-2-[(4-iodophenylcarbonyl)amino]-1,3-thiazol-4-yl-acetamide dihydrochloride
Alternate Name(s) N-(4-(2-((3-(cyclohexylamino)propyl)amino)-2-oxoethyl)thiazol-2-yl)-4-iodobenzamide dihydrochloride N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxoethyl]-2-thiazolyl]-4-iodobenzamide;dihydrochloride N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-4-iodobenzamide;dihydrochloride N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxo-ethyl]thiazol-2-yl]-4-iodo-benzamide;dihydrochloride N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-iodanyl-benzamide;dihydrochloride
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Formula C21H29Cl2IN4O2S
InChI InChI=1S/C21H27IN4O2S.2ClH/c22-16-9-7-15(8-10-16)20(28)26-21-25-18(14-29-21)13-19(27)24-12-4-11-23-17-5-2-1-3-6-17;;/h7-10,14,17,23H,1-6,11-13H2,(H,24,27)(H,25,26,28);2*1H
InChIKey MHQHRABZFOJKIQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700046
Molecular Weight 599.359 g/mol
SMILES Cl.N(C(c1ccc(cc1)I)=O)c1scc(CC(=O)NCCCNC2CCCCC2)n1.Cl
SPLASH splash10-001i-9276710000-f20d883f5f92322c8751
Source of Spectrum APC-341-651-3h
Wiley ID 1768899