bis(2-methylpropyl)-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium

Systemtic Name: bis(2-methylpropyl)-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Openeye Name: diisobutyl-[[5-[3-(1-piperidylsulfonyl)phenyl]-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: bis(2-methylpropyl)-[[5-[3-(1-piperidinylsulfonyl)phenyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: bis(2-methylpropyl)-[[5-(3-piperidin-1-ylsulfonylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: diisobutyl-[[5-(3-piperidinosulfonylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C22H35N4O3S2+ MolecularWeight: 467.6683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)CN1C(=S)OC(=N1)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)C[NH+](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/p+1