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

Systemtic Name: N-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-dimethyl-propane-1,3-diamine Openeye Name: N-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-dimethyl-propane-1,3-diamine CAS Name: N-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-N',N'-dimethylpropane-1,3-diamine IUPAC Name: N-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-[[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amino]propyl-dimethyl-amine Formula: C21H25BrN4OS MolecularWeight: 461.4184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4OS/c1-26(2)12-6-11-23-20-21(25-18-8-5-4-7-17(18)24-20)28-14-15-13-16(22)9-10-19(15)27-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,23,24)