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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-thienyl)cinchoninamide Formula: C27H17N3OS2 MolecularWeight: 463.57338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=CC(=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H17N3OS2/c31-26(20-16-23(24-13-6-14-32-24)29-21-10-2-1-9-19(20)21)28-18-8-5-7-17(15-18)27-30-22-11-3-4-12-25(22)33-27/h1-16H,(H,28,31)