N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS2/c1-2-20-25-26-22(29-20)24-19(27)14-28-21-17(12-15-8-4-3-5-9-15)13-16-10-6-7-11-18(16)23-21/h3-11,13H,2,12,14H2,1H3,(H,24,26,27)