N-[(4-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]propanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)-N-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-3-(3-methyl-1-pyrazolyl)-N-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propanamide Traditional Name: 3-(3-methylpyrazol-1-yl)-N-[[7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl]-N-p-anisyl-propionamide Formula: C30H30N4O2S2 MolecularWeight: 542.7148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N(CC2=CC=C(C=C2)OC)CC3=C(N=C4C=C(C=CC4=C3)SC)C5=CC=CS5

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N(CC2=CC=C(C=C2)OC)CC3=C(N=C4C=C(C=CC4=C3)SC)C5=CC=CS5

InChI

InChI=1S/C30H30N4O2S2/c1-21-12-14-34(32-21)15-13-29(35)33(19-22-6-9-25(36-2)10-7-22)20-24-17-23-8-11-26(37-3)18-27(23)31-30(24)28-5-4-16-38-28/h4-12,14,16-18H,13,15,19-20H2,1-3H3