3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Traditional Name: 5-methyl-3-[(4-piperonylpiperazino)methyl]-1,3,4-oxadiazole-2-thione Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)O1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN(C(=S)O1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H20N4O3S/c1-12-17-20(16(24)23-12)10-19-6-4-18(5-7-19)9-13-2-3-14-15(8-13)22-11-21-14/h2-3,8H,4-7,9-11H2,1H3