3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCCSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)NCCSCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O4S/c1-27-18-9-8-17(14-19(18)28-2)22-24-21(29-25-22)11-10-20(26)23-12-13-30-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)