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

Systemtic Name: N-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-N',N'-diethylethane-1,2-diamine IUPAC Name: N-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amino]ethyl-diethyl-amine Formula: C22H27BrN4OS MolecularWeight: 475.44498

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCN(CC)CCNC1=NC2=CC=CC=C2N=C1SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H27BrN4OS/c1-4-27(5-2)13-12-24-21-22(26-19-9-7-6-8-18(19)25-21)29-15-16-14-17(23)10-11-20(16)28-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,25)