3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-4-yl]quinoxalin-2-amine

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-4-yl]quinoxalin-2-amine Openeye Name: N-(1-benzyl-4-piperidyl)-3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-[1-(phenylmethyl)-4-piperidinyl]-2-quinoxalinamine IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-amine Traditional Name: (1-benzyl-4-piperidyl)-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amine 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=C2NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NC4CCN(CC4)CC5=CC=CC=C5

InChI

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