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

Systemtic Name: methyl (1E)-N-(4-methylphenyl)sulfonyl-4-phenyl-piperazine-1-carboximidothioate Openeye Name: methyl (1E)-4-phenyl-N-(p-tolylsulfonyl)piperazine-1-carboximidothioate CAS Name: (1E)-N-(4-methylphenyl)sulfonyl-4-phenyl-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-(4-methylphenyl)sulfonyl-4-phenylpiperazine-1-carboximidothioate Traditional Name: (1E)-4-phenyl-N-tosyl-piperazine-1-carboximidothioic acid methyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N2CCN(CC2)C3=CC=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N2CCN(CC2)C3=CC=CC=C3)/SC

InChI

InChI=1S/C19H23N3O2S2/c1-16-8-10-18(11-9-16)26(23,24)20-19(25-2)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3/b20-19+