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

Systemtic Name: 2-[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinolin-1-yl]-N-[[4-(4-ethylphenyl)phenyl]methyl]-N-(1-ethylpiperidin-4-yl)ethanamide Openeye Name: 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1-quinolyl]-N-[[4-(4-ethylphenyl)phenyl]methyl]-N-(1-ethyl-4-piperidyl)acetamide CAS Name: 2-[2-[(2,3-difluorophenyl)methylthio]-4-oxo-1-quinolinyl]-N-[[4-(4-ethylphenyl)phenyl]methyl]-N-(1-ethyl-4-piperidinyl)acetamide IUPAC Name: 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[[4-(4-ethylphenyl)phenyl]methyl]-N-(1-ethylpiperidin-4-yl)acetamide Traditional Name: 2-[2-[(2,3-difluorobenzyl)thio]-4-keto-1-quinolyl]-N-[4-(4-ethylphenyl)benzyl]-N-(1-ethyl-4-piperidyl)acetamide Formula: C40H41F2N3O2S MolecularWeight: 665.834246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3CCN(CC3)CC)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)CN(C3CCN(CC3)CC)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)F

InChI

InChI=1S/C40H41F2N3O2S/c1-3-28-12-16-30(17-13-28)31-18-14-29(15-19-31)25-44(33-20-22-43(4-2)23-21-33)38(47)26-45-36-11-6-5-9-34(36)37(46)24-39(45)48-27-32-8-7-10-35(41)40(32)42/h5-19,24,33H,3-4,20-23,25-27H2,1-2H3