N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]-2-(4-isobutylphenyl)cinchoninamide Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C#N)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C)C#N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H29N3O2S/c1-20(2)17-22-9-11-23(12-10-22)30-18-27(26-7-5-6-8-29(26)35-30)32(37)36-33-28(19-34)31(21(3)39-33)24-13-15-25(38-4)16-14-24/h5-16,18,20H,17H2,1-4H3,(H,36,37)