methyl (1E)-N-(4-acetamidophenyl)sulfonyl-4-phenyl-piperazine-1-carboximidothioate

Systemtic Name: methyl (1E)-N-(4-acetamidophenyl)sulfonyl-4-phenyl-piperazine-1-carboximidothioate Openeye Name: methyl (1E)-N-(4-acetamidophenyl)sulfonyl-4-phenyl-piperazine-1-carboximidothioate CAS Name: (1E)-N-(4-acetamidophenyl)sulfonyl-4-phenyl-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-(4-acetamidophenyl)sulfonyl-4-phenylpiperazine-1-carboximidothioate Traditional Name: (1E)-N-(4-acetamidophenyl)sulfonyl-4-phenyl-piperazine-1-carboximidothioic acid methyl ester Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S2/c1-16(25)21-17-8-10-19(11-9-17)29(26,27)22-20(28-2)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,21,25)/b22-20+