N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-phenyl-cinchoninamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-14(2)12-20-25-26-22(28-20)24-21(27)17-13-19(15-8-4-3-5-9-15)23-18-11-7-6-10-16(17)18/h3-11,13-14H,12H2,1-2H3,(H,24,26,27)