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

Systemtic Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]-4-methyl-benzamide CAS Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-4-methylbenzamide Traditional Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]-4-methyl-benzamide Formula: C29H28N2O2S MolecularWeight: 468.60982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC(=CC=C4)OC)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC(=CC=C4)OC)C5CC5

InChI

InChI=1S/C29H28N2O2S/c1-19-7-9-20(10-8-19)29(32)31(24-12-13-24)18-23-15-21-11-14-26(34-3)17-27(21)30-28(23)22-5-4-6-25(16-22)33-2/h4-11,14-17,24H,12-13,18H2,1-3H3