2-[2-[[[4,5-bis(bromanyl)thiophen-2-yl]methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[[4,5-bis(bromanyl)thiophen-2-yl]methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[(4,5-dibromo-2-thienyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[(4,5-dibromo-2-thiophenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[(4,5-dibromo-2-thienyl)methylamino]methyl]pentylamino]-4-quinolone Formula: C20H23Br2N3OS MolecularWeight: 513.28912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNCC1=CC(=C(S1)Br)Br)CNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCC(CNCC1=CC(=C(S1)Br)Br)CNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H23Br2N3OS/c1-2-5-13(10-23-12-14-8-16(21)20(22)27-14)11-24-19-9-18(26)15-6-3-4-7-17(15)25-19/h3-4,6-9,13,23H,2,5,10-12H2,1H3,(H2,24,25,26)