N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methylsulfanylphenyl)benzamide

Systemtic Name: N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methylsulfanylphenyl)benzamide Openeye Name: N-[6-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]-4-(4-methylsulfanylphenyl)benzamide CAS Name: N-[6-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]-4-[4-(methylthio)phenyl]benzamide IUPAC Name: N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]-4-(4-methylsulfanylphenyl)benzamide Traditional Name: N-[6-methyl-3-(pyrrolidinomethyl)-7-quinolyl]-4-[4-(methylthio)phenyl]benzamide Formula: C29H29N3OS MolecularWeight: 467.62506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)SC)CN5CCCC5

Isomeric SMILES

CC1=CC2=CC(=CN=C2C=C1NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)SC)CN5CCCC5

InChI

InChI=1S/C29H29N3OS/c1-20-15-25-16-21(19-32-13-3-4-14-32)18-30-28(25)17-27(20)31-29(33)24-7-5-22(6-8-24)23-9-11-26(34-2)12-10-23/h5-12,15-18H,3-4,13-14,19H2,1-2H3,(H,31,33)