methyl (1E)-4-(2,6-dicyanophenyl)-N-(phenylsulfonyl)piperazine-1-carboximidothioate

Systemtic Name: methyl (1E)-4-(2,6-dicyanophenyl)-N-(phenylsulfonyl)piperazine-1-carboximidothioate Openeye Name: methyl (1E)-N-(benzenesulfonyl)-4-(2,6-dicyanophenyl)piperazine-1-carboximidothioate CAS Name: (1E)-N-(benzenesulfonyl)-4-(2,6-dicyanophenyl)-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl (1E)-N-(benzenesulfonyl)-4-(2,6-dicyanophenyl)piperazine-1-carboximidothioate Traditional Name: (1E)-N-besyl-4-(2,6-dicyanophenyl)piperazine-1-carboximidothioic acid methyl ester Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC=C1)N2CCN(CC2)C3=C(C=CC=C3C#N)C#N

Isomeric SMILES

CS/C(=N/S(=O)(=O)C1=CC=CC=C1)/N2CCN(CC2)C3=C(C=CC=C3C#N)C#N

InChI

InChI=1S/C20H19N5O2S2/c1-28-20(23-29(26,27)18-8-3-2-4-9-18)25-12-10-24(11-13-25)19-16(14-21)6-5-7-17(19)15-22/h2-9H,10-13H2,1H3/b23-20+