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N-[3-(Cyclohexylamino)propyl]-2-[[(4-bromophenyl)carbonyl]amino]-1,3-thiazol-4-yl-acetamide dihydrochloride
SpectraBase Compound ID HklIjGrk8iq
InChI InChI=1S/C21H27BrN4O2S.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 ADZOEYQFNKTFHZ-UHFFFAOYSA-N
Mol Weight 552.36 g/mol
Molecular Formula C21H29BrCl2N4O2S
Exact Mass 550.057166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXsQ0VMgVs
Name N-[3-(Cyclohexylamino)propyl]-2-[[(4-bromophenyl)carbonyl]amino]-1,3-thiazol-4-yl-acetamide dihydrochloride
Alternate Name(s) 4-Bromo-N-(4-(2-((3-(cyclohexylamino)propyl)amino)-2-oxoethyl)thiazol-2-yl)benzamide dihydrochloride 4-Bromo-N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxoethyl]-2-thiazolyl]benzamide;dihydrochloride 4-Bromo-N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide;dihydrochloride 4-Bromo-N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxo-ethyl]thiazol-2-yl]benzamide;dihydrochloride 4-Bromanyl-N-[4-[2-[3-(cyclohexylamino)propylamino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]benzamide;dihydrochloride
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Formula C21H29BrCl2N4O2S
InChI InChI=1S/C21H27BrN4O2S.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 ADZOEYQFNKTFHZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700046
Molecular Weight 552.359 g/mol
SMILES Cl.N(C(c1ccc(cc1)Br)=O)c1scc(CC(=O)NCCCNC2CCCCC2)n1.Cl
SPLASH splash10-000l-4918400000-ad8bd0b8ddb9abed45ab
Source of Spectrum APC-341-652-3o
Wiley ID 1768905