2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxaline

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(E)-cinnamyl]piperazin-1-yl]quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-[4-[(E)-cinnamyl]piperazino]quinoxaline Formula: C29H29BrN4OS MolecularWeight: 561.53576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrN4OS/c1-35-27-14-13-24(30)20-23(27)21-36-29-28(31-25-11-5-6-12-26(25)32-29)34-18-16-33(17-19-34)15-7-10-22-8-3-2-4-9-22/h2-14,20H,15-19,21H2,1H3/b10-7+