2-[2-[(3-bromanyl-5-methylsulfanyl-1H-indol-7-yl)methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[(3-bromanyl-5-methylsulfanyl-1H-indol-7-yl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[(3-bromo-5-methylsulfanyl-1H-indol-7-yl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[3-bromo-5-(methylthio)-1H-indol-7-yl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[(3-bromo-5-methylsulfanyl-1H-indol-7-yl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[3-bromo-5-(methylthio)-1H-indol-7-yl]methylamino]propylamino]-4-quinolone Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=C4C(=CC(=C3)SC)C(=CN4)Br

Isomeric SMILES

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=C4C(=CC(=C3)SC)C(=CN4)Br

InChI

InChI=1S/C22H23BrN4OS/c1-13(10-25-21-9-20(28)16-5-3-4-6-19(16)27-21)24-11-14-7-15(29-2)8-17-18(23)12-26-22(14)17/h3-9,12-13,24,26H,10-11H2,1-2H3,(H2,25,27,28)