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

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-4-yl-ethanamide Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-quinolyl)acetamide CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thio]-N-(4-quinolinyl)acetamide IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-4-ylacetamide Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]thio]-N-(4-quinolyl)acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(S2)SCC(=O)NC3=CC=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(S2)SCC(=O)NC3=CC=NC4=CC=CC=C43)OC

InChI

InChI=1S/C21H18N4O3S2/c1-27-14-9-13(10-15(11-14)28-2)20-24-25-21(30-20)29-12-19(26)23-18-7-8-22-17-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3,(H,22,23,26)