3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thione Formula: C20H30N5O4S2+ MolecularWeight: 468.6133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H29N5O4S2/c1-28-18-8-6-17(7-9-18)19-21-25(20(30)29-19)16-22-12-14-24(15-13-22)31(26,27)23-10-4-2-3-5-11-23/h6-9H,2-5,10-16H2,1H3/p+1