2-[3-[(3-bromanyl-2-ethoxy-5-methylsulfanyl-phenyl)methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[(3-bromanyl-2-ethoxy-5-methylsulfanyl-phenyl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[(3-bromo-2-ethoxy-5-methylsulfanyl-phenyl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[3-bromo-2-ethoxy-5-(methylthio)phenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[(3-bromo-2-ethoxy-5-methylsulfanylphenyl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[3-bromo-2-ethoxy-5-(methylthio)benzyl]amino]propylamino]-4-quinolone Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNCCCNC2=CC(=O)C3=CC=CC=C3N2)SC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNCCCNC2=CC(=O)C3=CC=CC=C3N2)SC)Br

InChI

InChI=1S/C22H26BrN3O2S/c1-3-28-22-15(11-16(29-2)12-18(22)23)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)