2-(4-propan-2-ylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-propan-2-ylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-N-[(E)-1-(2-thienyl)propylideneamino]quinoline-4-carboxamide CAS Name: 2-(4-propan-2-ylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-propan-2-ylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide Traditional Name: 2-p-cumenyl-N-[(E)-1-(2-thienyl)propylideneamino]cinchoninamide Formula: C26H25N3OS MolecularWeight: 427.5612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C(C)C)C4=CC=CS4

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C(C)C)/C4=CC=CS4

InChI

InChI=1S/C26H25N3OS/c1-4-22(25-10-7-15-31-25)28-29-26(30)21-16-24(27-23-9-6-5-8-20(21)23)19-13-11-18(12-14-19)17(2)3/h5-17H,4H2,1-3H3,(H,29,30)/b28-22+