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

Systemtic Name: 2-(4-butan-2-ylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-[(E)-(3-methyl-2-thiophenyl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: N-[(E)-(3-methyl-2-thienyl)methyleneamino]-2-(4-sec-butylphenyl)cinchoninamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3OS/c1-4-17(2)19-9-11-20(12-10-19)24-15-22(21-7-5-6-8-23(21)28-24)26(30)29-27-16-25-18(3)13-14-31-25/h5-17H,4H2,1-3H3,(H,29,30)/b27-16+