methyl 4-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboximidothioate

Systemtic Name: methyl 4-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboximidothioate Openeye Name: methyl 4-(4-methoxyphenyl)-N-(p-tolylsulfonyl)piperazine-1-carboximidothioate CAS Name: 4-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboximidothioate Traditional Name: 4-(4-methoxyphenyl)-N-tosyl-piperazine-1-carboximidothioic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-16-4-10-19(11-5-16)28(24,25)21-20(27-3)23-14-12-22(13-15-23)17-6-8-18(26-2)9-7-17/h4-11H,12-15H2,1-3H3