3-[[bis(2-methylpropyl)amino]methyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[bis(2-methylpropyl)amino]methyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(diisobutylamino)methyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-[[bis(2-methylpropyl)amino]methyl]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[bis(2-methylpropyl)amino]methyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(diisobutylamino)methyl]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole-2-thione Formula: C22H34N4O3S2 MolecularWeight: 466.66036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CN1C(=S)OC(=N1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)CN(CC(C)C)CN1C(=S)OC(=N1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H34N4O3S2/c1-17(2)14-24(15-18(3)4)16-26-22(30)29-21(23-26)19-9-8-10-20(13-19)31(27,28)25-11-6-5-7-12-25/h8-10,13,17-18H,5-7,11-12,14-16H2,1-4H3