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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[5-(4-quinolylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[5-(4-quinolinylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(5-quinolin-4-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[5-(4-quinolylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S2/c1-28-17-9-7-14(13-18(17)29-2)8-10-20(27)24-21-25-26-22(31-21)30-19-11-12-23-16-6-4-3-5-15(16)19/h3-7,9,11-13H,8,10H2,1-2H3,(H,24,25,27)