2-(4-tert-butylphenyl)-N-[(E)-1-(5-methylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-methylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-methyl-2-thienyl)propylideneamino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-methyl-2-thiophenyl)propylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-methylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-methyl-2-thienyl)propylideneamino]cinchoninamide Formula: C28H29N3OS MolecularWeight: 455.61436

Click to see the large picture

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=C(S4)C

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C(C)(C)C)/C4=CC=C(S4)C

InChI

InChI=1S/C28H29N3OS/c1-6-23(26-16-11-18(2)33-26)30-31-27(32)22-17-25(29-24-10-8-7-9-21(22)24)19-12-14-20(15-13-19)28(3,4)5/h7-17H,6H2,1-5H3,(H,31,32)/b30-23+