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

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C33H29N3O3S MolecularWeight: 547.66666

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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(=CC=C4)OCC(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(=CC=C4)OCC(C)C)C#N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H29N3O3S/c1-20(2)19-39-25-9-7-8-23(16-25)30-17-27(26-10-5-6-11-29(26)35-30)32(37)36-33-28(18-34)31(21(3)40-33)22-12-14-24(38-4)15-13-22/h5-17,20H,19H2,1-4H3,(H,36,37)