N-(6-butyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-phenyl-cinchoninamide Formula: C27H23N3OS MolecularWeight: 437.55602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3OS/c1-2-3-9-18-14-15-23-25(16-18)32-27(29-23)30-26(31)21-17-24(19-10-5-4-6-11-19)28-22-13-8-7-12-20(21)22/h4-8,10-17H,2-3,9H2,1H3,(H,29,30,31)