N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-cinchoninamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-3-15(4-2)22-26-27-23(29-22)25-21(28)18-14-20(16-10-6-5-7-11-16)24-19-13-9-8-12-17(18)19/h5-15H,3-4H2,1-2H3,(H,25,27,28)