2-(4-tert-butylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(2-thienyl)propylideneamino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(2-thienyl)propylideneamino]cinchoninamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27N3OS/c1-5-22(25-11-8-16-32-25)29-30-26(31)21-17-24(28-23-10-7-6-9-20(21)23)18-12-14-19(15-13-18)27(2,3)4/h6-17H,5H2,1-4H3,(H,30,31)/b29-22+