6-nitro-3-[[4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 6-nitro-3-[[4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 6-nitro-3-[[4-[(6-nitro-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 6-nitro-3-[[4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazinyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 6-nitro-3-[[4-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 6-nitro-3-[[4-[(6-nitro-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazino]methyl]-1,3-benzothiazole-2-thione Formula: C20H18N6O4S4 MolecularWeight: 534.65472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S)CN4C5=C(C=C(C=C5)[N+](=O)[O-])SC4=S

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=S)CN4C5=C(C=C(C=C5)[N+](=O)[O-])SC4=S

InChI

InChI=1S/C20H18N6O4S4/c27-25(28)13-1-3-15-17(9-13)33-19(31)23(15)11-21-5-7-22(8-6-21)12-24-16-4-2-14(26(29)30)10-18(16)34-20(24)32/h1-4,9-10H,5-8,11-12H2