1-(azepan-1-yl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H25N3O4S/c1-24-15-8-7-14(13-16(15)25-2)18-20-21-19(26-18)27-12-9-17(23)22-10-5-3-4-6-11-22/h7-8,13H,3-6,9-12H2,1-2H3