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

Systemtic Name: N-cyclopropyl-2-ethyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]butanamide Openeye Name: N-cyclopropyl-2-ethyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]butanamide CAS Name: N-cyclopropyl-2-ethyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]butanamide IUPAC Name: N-cyclopropyl-2-ethyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]butanamide Traditional Name: N-cyclopropyl-2-ethyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]butyramide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2S/c1-5-18(6-2)27(30)29(22-11-12-22)17-21-14-19-10-13-24(32-4)16-25(19)28-26(21)20-8-7-9-23(15-20)31-3/h7-10,13-16,18,22H,5-6,11-12,17H2,1-4H3