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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(4-cyclohexyl-1-piperazinyl)quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(4-cyclohexylpiperazin-1-yl)quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(4-cyclohexylpiperazino)quinoxaline Formula: C26H31BrN4OS MolecularWeight: 527.51954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C26H31BrN4OS/c1-32-24-12-11-20(27)17-19(24)18-33-26-25(28-22-9-5-6-10-23(22)29-26)31-15-13-30(14-16-31)21-7-3-2-4-8-21/h5-6,9-12,17,21H,2-4,7-8,13-16,18H2,1H3