N-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethyl-propane-1,3-diamine

Systemtic Name: N-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethyl-propane-1,3-diamine Openeye Name: N-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethyl-propane-1,3-diamine CAS Name: N-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-N',N'-diethylpropane-1,3-diamine IUPAC Name: N-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethylpropane-1,3-diamine Traditional Name: 3-[[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amino]propyl-diethyl-amine Formula: C23H29BrN4OS MolecularWeight: 489.47156

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCN(CC)CCCNC1=NC2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H29BrN4OS/c1-4-28(5-2)14-8-13-25-22-23(27-20-10-7-6-9-19(20)26-22)30-16-17-15-18(24)11-12-21(17)29-3/h6-7,9-12,15H,4-5,8,13-14,16H2,1-3H3,(H,25,26)