1-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione Openeye Name: 1-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione CAS Name: 1-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolethione IUPAC Name: 1-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-3-methylbenzimidazole-2-thione Traditional Name: 1-methyl-3-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C19H21N6O2S3+ MolecularWeight: 461.60404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C19H20N6O2S3/c1-22-15-6-2-3-7-16(15)25(19(22)28)13-23-9-11-24(12-10-23)30(26,27)17-8-4-5-14-18(17)21-29-20-14/h2-8H,9-13H2,1H3/p+1