N'-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]propane-1,3-diamine

Systemtic Name: N'-[3-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]propane-1,3-diamine Openeye Name: N'-[3-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]quinoxalin-2-yl]propane-1,3-diamine CAS Name: N'-[3-[(5-bromo-2-methoxyphenyl)methylthio]-2-quinoxalinyl]propane-1,3-diamine IUPAC Name: N'-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]quinoxalin-2-yl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[3-[(5-bromo-2-methoxy-benzyl)thio]quinoxalin-2-yl]amine Formula: C19H21BrN4OS MolecularWeight: 433.36524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3N=C2NCCCN

InChI

InChI=1S/C19H21BrN4OS/c1-25-17-8-7-14(20)11-13(17)12-26-19-18(22-10-4-9-21)23-15-5-2-3-6-16(15)24-19/h2-3,5-8,11H,4,9-10,12,21H2,1H3,(H,22,23)