2-(3,4-dimethylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-[(E)-1-(2-thienyl)propylideneamino]quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-[(E)-1-(2-thienyl)propylideneamino]cinchoninamide Formula: C25H23N3OS MolecularWeight: 413.53462

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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)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3OS/c1-4-21(24-10-7-13-30-24)27-28-25(29)20-15-23(18-12-11-16(2)17(3)14-18)26-22-9-6-5-8-19(20)22/h5-15H,4H2,1-3H3,(H,28,29)/b27-21+