N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-2-(4-propylphenyl)cinchoninamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(C=CS4)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=C(C=CS4)C

InChI

InChI=1S/C25H23N3OS/c1-3-6-18-9-11-19(12-10-18)23-15-21(20-7-4-5-8-22(20)27-23)25(29)28-26-16-24-17(2)13-14-30-24/h4-5,7-16H,3,6H2,1-2H3,(H,28,29)/b26-16+