dimethyl (1E,4E)-N1,N4-bis[(4-acetamidophenyl)sulfonyl]piperazine-1,4-dicarboximidothioate

Systemtic Name: dimethyl (1E,4E)-N1,N4-bis[(4-acetamidophenyl)sulfonyl]piperazine-1,4-dicarboximidothioate Openeye Name: dimethyl (1E,4E)-N1,N4-bis[(4-acetamidophenyl)sulfonyl]piperazine-1,4-dicarboximidothioate CAS Name: (1E,4E)-N1,N4-bis[(4-acetamidophenyl)sulfonyl]piperazine-1,4-dicarboximidothioic acid dimethyl ester IUPAC Name: dimethyl (1E,4E)-1-N,4-N-bis[(4-acetamidophenyl)sulfonyl]piperazine-1,4-dicarboximidothioate Traditional Name: (1E,4E)-N,N'-bis[(4-acetamidophenyl)sulfonyl]piperazine-1,4-dicarboximidothioic acid dimethyl ester Formula: C24H30N6O6S4 MolecularWeight: 626.7916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCN(CC2)C(=NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)SC)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C(/SC)\N2CCN(CC2)/C(=N\S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/SC

InChI

InChI=1S/C24H30N6O6S4/c1-17(31)25-19-5-9-21(10-6-19)39(33,34)27-23(37-3)29-13-15-30(16-14-29)24(38-4)28-40(35,36)22-11-7-20(8-12-22)26-18(2)32/h5-12H,13-16H2,1-4H3,(H,25,31)(H,26,32)/b27-23+,28-24+