2-(3-butoxyphenyl)-N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=CC=C5)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=CC=C5)C#N

InChI

InChI=1S/C32H27N3O2S/c1-3-4-17-37-24-14-10-13-23(18-24)29-19-26(25-15-8-9-16-28(25)34-29)31(36)35-32-27(20-33)30(21(2)38-32)22-11-6-5-7-12-22/h5-16,18-19H,3-4,17H2,1-2H3,(H,35,36)