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

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-2-(2-thienyl)cinchoninamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS2/c1-21(2,3)12-18-24-25-20(28-18)23-19(26)14-11-16(17-9-6-10-27-17)22-15-8-5-4-7-13(14)15/h4-11H,12H2,1-3H3,(H,23,25,26)