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

Systemtic Name: 2-[3-[(2-ethoxy-3-methyl-5-methylsulfanyl-phenyl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[(2-ethoxy-3-methyl-5-methylsulfanyl-phenyl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[2-ethoxy-3-methyl-5-(methylthio)phenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[(2-ethoxy-3-methyl-5-methylsulfanylphenyl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[2-ethoxy-3-methyl-5-(methylthio)benzyl]amino]propylamino]-4-quinolone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)SC)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC1=C(C=C(C=C1C)SC)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H29N3O2S/c1-4-28-23-16(2)12-18(29-3)13-17(23)15-24-10-7-11-25-22-14-21(27)19-8-5-6-9-20(19)26-22/h5-6,8-9,12-14,24H,4,7,10-11,15H2,1-3H3,(H2,25,26,27)