N-[(E)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(E)-1-(4-isobutoxyphenyl)ethylideneamino]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-[4-(2-methylpropoxy)phenyl]ethylideneamino]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(E)-1-(4-isobutoxyphenyl)ethylideneamino]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C(C)C4=CC=C(C=C4)OCC(C)C

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C(\C)/C4=CC=C(C=C4)OCC(C)C

InChI

InChI=1S/C27H27N3O2S/c1-17(2)16-32-21-12-10-20(11-13-21)19(4)29-30-27(31)23-15-25(26-14-9-18(3)33-26)28-24-8-6-5-7-22(23)24/h5-15,17H,16H2,1-4H3,(H,30,31)/b29-19+