N-[(E)-1-[4-(pyridin-3-ylcarbonylamino)phenyl]ethylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-[4-(pyridin-3-ylcarbonylamino)phenyl]ethylideneamino]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(E)-1-[4-(pyridine-3-carbonylamino)phenyl]ethylideneamino]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]ethylideneamino]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-[4-(pyridine-3-carbonylamino)phenyl]ethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(E)-1-(4-nicotinamidophenyl)ethylideneamino]-2-(2-thienyl)cinchoninamide Formula: C28H21N5O2S MolecularWeight: 491.56364

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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)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)/C4=CC=C(C=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H21N5O2S/c1-18(19-10-12-21(13-11-19)30-27(34)20-6-4-14-29-17-20)32-33-28(35)23-16-25(26-9-5-15-36-26)31-24-8-3-2-7-22(23)24/h2-17H,1H3,(H,30,34)(H,33,35)/b32-18+