2-(1H-benzimidazol-2-ylsulfanyl)-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione CAS Name: 2-(1H-benzimidazol-2-ylthio)-1,3-bis(4-methyl-1-piperazin-4-iumyl)propane-1,3-dione IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Formula: C20H30N6O2S+2 MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H28N6O2S/c1-23-7-11-25(12-8-23)18(27)17(19(28)26-13-9-24(2)10-14-26)29-20-21-15-5-3-4-6-16(15)22-20/h3-6,17H,7-14H2,1-2H3,(H,21,22)/p+2