N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thienyl)cinchoninamide Formula: C27H17N3O2S MolecularWeight: 447.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H17N3O2S/c31-26(20-16-23(25-10-5-15-33-25)29-21-7-2-1-6-19(20)21)28-18-13-11-17(12-14-18)27-30-22-8-3-4-9-24(22)32-27/h1-16H,(H,28,31)