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

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-methyl-benzimidazole-2-thione Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-methyl-benzimidazole-2-thione CAS Name: 1-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-3-methyl-2-benzimidazolethione IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-3-methylbenzimidazole-2-thione Traditional Name: 1-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-3-methyl-benzimidazole-2-thione Formula: C19H29N5O2S2 MolecularWeight: 423.59586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C19H29N5O2S2/c1-20-17-8-4-5-9-18(17)24(19(20)27)16-21-12-14-23(15-13-21)28(25,26)22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-16H2,1H3