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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]quinoxalin-2-amine Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-amine CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylthio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-quinoxalinamine IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-amine Traditional Name: (1-benzylpyrrolidin-3-yl)-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amine Formula: C27H27BrN4OS MolecularWeight: 535.49848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NC4CCN(C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NC4CCN(C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27BrN4OS/c1-33-25-12-11-21(28)15-20(25)18-34-27-26(30-23-9-5-6-10-24(23)31-27)29-22-13-14-32(17-22)16-19-7-3-2-4-8-19/h2-12,15,22H,13-14,16-18H2,1H3,(H,29,30)