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

Systemtic Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-methyl-propanamide Openeye Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]-2-methyl-propanamide CAS Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]-2-methylpropanamide IUPAC Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methylpropanamide Traditional Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]-2-methyl-propionamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC(=CC=C3)OC)C4CC4

Isomeric SMILES

CC(C)C(=O)N(CC1=C(N=C2C=C(C=CC2=C1)SC)C3=CC(=CC=C3)OC)C4CC4

InChI

InChI=1S/C25H28N2O2S/c1-16(2)25(28)27(20-9-10-20)15-19-12-17-8-11-22(30-4)14-23(17)26-24(19)18-6-5-7-21(13-18)29-3/h5-8,11-14,16,20H,9-10,15H2,1-4H3