2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinolin-1-yl]-N-(2-diethylaminoethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinolin-1-yl]-N-(2-diethylaminoethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamide Openeye Name: N-(2-diethylaminoethyl)-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1-quinolyl]-N-[[4-(p-tolyl)phenyl]methyl]acetamide CAS Name: N-(2-diethylaminoethyl)-2-[2-[(2,3-difluorophenyl)methylthio]-4-oxo-1-quinolinyl]-N-[[4-(4-methylphenyl)phenyl]methyl]acetamide IUPAC Name: N-(2-diethylaminoethyl)-2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[[4-(4-methylphenyl)phenyl]methyl]acetamide Traditional Name: N-(2-diethylaminoethyl)-2-[2-[(2,3-difluorobenzyl)thio]-4-keto-1-quinolyl]-N-[4-(p-tolyl)benzyl]acetamide Formula: C38H39F2N3O2S MolecularWeight: 639.796966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C)C(=O)CN3C4=CC=CC=C4C(=O)C=C3SCC5=C(C(=CC=C5)F)F

Isomeric SMILES

CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C)C(=O)CN3C4=CC=CC=C4C(=O)C=C3SCC5=C(C(=CC=C5)F)F

InChI

InChI=1S/C38H39F2N3O2S/c1-4-41(5-2)21-22-42(24-28-15-19-30(20-16-28)29-17-13-27(3)14-18-29)36(45)25-43-34-12-7-6-10-32(34)35(44)23-37(43)46-26-31-9-8-11-33(39)38(31)40/h6-20,23H,4-5,21-22,24-26H2,1-3H3