N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-2-(2-thienyl)cinchoninamide Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)/C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C28H27N3OS/c1-19(20-13-15-22(16-14-20)21-8-3-2-4-9-21)30-31-28(32)24-18-26(27-12-7-17-33-27)29-25-11-6-5-10-23(24)25/h5-7,10-18,21H,2-4,8-9H2,1H3,(H,31,32)/b30-19+