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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(SC=C1)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C

InChI

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