3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-keto-3-(4-piperonylpiperazino)propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)OC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H22N4O5S/c26-19(5-6-25-21(27)30-20(22-25)18-2-1-11-31-18)24-9-7-23(8-10-24)13-15-3-4-16-17(12-15)29-14-28-16/h1-4,11-12H,5-10,13-14H2