2-(3,5-dimethoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(3,5-dimethoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-(3,5-dimethoxyphenyl)-N-[5-(4-quinolylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide CAS Name: 2-(3,5-dimethoxyphenyl)-N-[5-(4-quinolinylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(3,5-dimethoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-(3,5-dimethoxyphenyl)-N-[5-(4-quinolylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CC(=O)NC2=NN=C(S2)SC3=CC=NC4=CC=CC=C43)OC

InChI

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