3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole-2-thione CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole-2-thione Formula: C20H30N5O3S2+ MolecularWeight: 452.6139

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H29N5O3S2/c1-2-22-11-13-23(14-12-22)16-25-20(29)28-19(21-25)17-7-6-8-18(15-17)30(26,27)24-9-4-3-5-10-24/h6-8,15H,2-5,9-14,16H2,1H3/p+1