N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanyl-butanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(5-piperonyl-1,3,4-oxadiazol-2-yl)butyramide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5S/c1-26-15-5-7-16(8-6-15)30-10-2-3-19(25)22-21-24-23-20(29-21)12-14-4-9-17-18(11-14)28-13-27-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,24,25)