1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-ethyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-ethyl-benzimidazole-2-thione Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-ethyl-benzimidazole-2-thione CAS Name: 1-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-3-ethyl-2-benzimidazolethione IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-ethylbenzimidazole-2-thione Traditional Name: 1-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-3-ethyl-benzimidazole-2-thione Formula: C20H31N5O2S2 MolecularWeight: 437.62244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H31N5O2S2/c1-2-24-18-9-5-6-10-19(18)25(20(24)28)17-21-13-15-23(16-14-21)29(26,27)22-11-7-3-4-8-12-22/h5-6,9-10H,2-4,7-8,11-17H2,1H3