N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C20H24N4OS2 MolecularWeight: 400.56076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)CC(C)C)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)CC(C)C)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C20H24N4OS2/c1-5-16(19(25)22-20-24-23-18(27-20)10-12(2)3)26-17-11-13(4)14-8-6-7-9-15(14)21-17/h6-9,11-12,16H,5,10H2,1-4H3,(H,22,24,25)