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

Systemtic Name: N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C32H27N3O2S MolecularWeight: 517.64068

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C32H27N3O2S/c1-20(2)19-37-24-13-9-12-23(16-24)29-17-26(25-14-7-8-15-28(25)34-29)31(36)35-32-27(18-33)30(21(3)38-32)22-10-5-4-6-11-22/h4-17,20H,19H2,1-3H3,(H,35,36)