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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]quinoxaline Formula: C33H30BrClN4OS MolecularWeight: 646.0395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C33H30BrClN4OS/c1-40-30-16-13-26(34)21-25(30)22-41-33-32(36-28-9-5-6-10-29(28)37-33)39-19-17-38(18-20-39)31(23-7-3-2-4-8-23)24-11-14-27(35)15-12-24/h2-16,21,31H,17-20,22H2,1H3