3-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C20H22N4S4+2 MolecularWeight: 446.67548

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CN2C3=CC=CC=C3SC2=S)CN4C5=CC=CC=C5SC4=S

Isomeric SMILES

C1C[NH+](CC[NH+]1CN2C3=CC=CC=C3SC2=S)CN4C5=CC=CC=C5SC4=S

InChI

InChI=1S/C20H20N4S4/c25-19-23(15-5-1-3-7-17(15)27-19)13-21-9-11-22(12-10-21)14-24-16-6-2-4-8-18(16)28-20(24)26/h1-8H,9-14H2/p+2