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Benzamide, N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]a 5374-52-7 C26H25N7OS
Identification and Related Records
【Name】
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-({[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamothioyl}amino)benzamide
【Iupac name】
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,
5-dihydro-1H-imidazol-2-yl)phenyl]carbamothioylamino]benzamide
dihydrochloride
【CAS Registry number】
5374-52-7
【Synonyms】
NSC62766
5374-52-7
Benzamide, N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-3-((((4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)amino)thioxomethyl)amino)-, dihydrochloride
Benzamide, N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]amino]thioxomethyl]amino]-, dihydrochloride
AC1MHDIG
NSC 62766
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamothioylamino]benzamide dihydrochloride
【Molecular Formula】
C26H25N7OS (Products with the same molecular formula)
【Molecular Weight】
556.50988
【Inchi】
InChI=1S/C26H25N7OS.2ClH/c34-25(31-20-8-4-17(5-9-20)23-27-12-13-28-23)19-2-1-3-22(16-19)33-26(35)32-21-10-6-18(7-11-21)24-29-14-15-30-24;;/h1-11,16H,12-15H2,(H,27,28)(H,29,30)(H,31,34)(H2,32,33,35);2*1H
【InChIKey】
WOWPTMURPBNUKV-UHFFFAOYSA-N
【Canonical SMILES】
C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=S)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl
Chemical and Physical Properties
【Density】
1.39g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.734
【Flash Point】
°C
【Computed Properties】
Molecular Weight:556.50988 [g/mol]
Molecular Formula:C26H27Cl2N7OS
H-Bond Donor:7
H-Bond Acceptor:4
Rotatable Bond Count:6
Tautomer Count:15
Exact Mass:555.137485
MonoIsotopic Mass:555.137485
Topological Polar Surface Area:134
Heavy Atom Count:37
Formal Charge:0
Complexity:815
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3
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