N-(2-dimethylaminoethyl)-3-fluoranyl-N-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-fluoranyl-N-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]benzamide CAS Name: N-(2-dimethylaminoethyl)-3-fluoro-N-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-fluoro-N-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]benzamide Formula: C29H30FN3O2S MolecularWeight: 503.630803

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CN(C)CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H30FN3O2S/c1-32(2)14-15-33(29(34)22-6-5-7-24(30)17-22)19-23-16-21-10-13-26(36-4)18-27(21)31-28(23)20-8-11-25(35-3)12-9-20/h5-13,16-18H,14-15,19H2,1-4H3