2-[2-[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]ethoxy]ethanol

Systemtic Name: 2-[2-[4-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]ethoxy]ethanol Openeye Name: 2-[2-[4-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]ethoxy]ethanol CAS Name: 2-[2-[4-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]-1-piperazinyl]ethoxy]ethanol IUPAC Name: 2-[2-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]piperazin-1-yl]ethoxy]ethanol Traditional Name: 2-[2-[4-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]piperazino]ethoxy]ethanol Formula: C24H29BrN4O3S MolecularWeight: 533.48106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CCOCCO

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CCOCCO

InChI

InChI=1S/C24H29BrN4O3S/c1-31-22-7-6-19(25)16-18(22)17-33-24-23(26-20-4-2-3-5-21(20)27-24)29-10-8-28(9-11-29)12-14-32-15-13-30/h2-7,16,30H,8-15,17H2,1H3