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

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]quinoxaline Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]quinoxaline CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]quinoxaline IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]quinoxaline Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-[4-(4-tert-butylbenzyl)piperazino]quinoxaline Formula: C31H35BrN4OS MolecularWeight: 591.6048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3SCC5=C(C=CC(=C5)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3SCC5=C(C=CC(=C5)Br)OC

InChI

InChI=1S/C31H35BrN4OS/c1-31(2,3)24-11-9-22(10-12-24)20-35-15-17-36(18-16-35)29-30(34-27-8-6-5-7-26(27)33-29)38-21-23-19-25(32)13-14-28(23)37-4/h5-14,19H,15-18,20-21H2,1-4H3