3-[[[4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]sulfonylphenyl]amino]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[[4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]sulfonylphenyl]amino]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]phenyl]sulfonylanilino]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]sulfonylanilino]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]phenyl]sulfonylanilino]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[4-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]phenyl]sulfonylanilino]methyl]-1,3-benzothiazole-2-thione Formula: C28H22N4O2S5 MolecularWeight: 606.82488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NCN5C6=CC=CC=C6SC5=S

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NCN5C6=CC=CC=C6SC5=S

InChI

InChI=1S/C28H22N4O2S5/c33-39(34,21-13-9-19(10-14-21)29-17-31-23-5-1-3-7-25(23)37-27(31)35)22-15-11-20(12-16-22)30-18-32-24-6-2-4-8-26(24)38-28(32)36/h1-16,29-30H,17-18H2