2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-phenethylpiperazin-1-yl)quinoxaline

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-phenethylpiperazin-1-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(4-phenethylpiperazin-1-yl)quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(4-phenethyl-1-piperazinyl)quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-phenethylpiperazin-1-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(4-phenethylpiperazino)quinoxaline Formula: C28H29BrN4OS MolecularWeight: 549.52506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H29BrN4OS/c1-34-26-12-11-23(29)19-22(26)20-35-28-27(30-24-9-5-6-10-25(24)31-28)33-17-15-32(16-18-33)14-13-21-7-3-2-4-8-21/h2-12,19H,13-18,20H2,1H3