[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C18H22N4O3S3 MolecularWeight: 438.58728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H22N4O3S3/c19-13-15-5-1-2-6-16(15)28(24,25)22-11-9-20(10-12-22)17(23)14-27-18(26)21-7-3-4-8-21/h1-2,5-6H,3-4,7-12,14H2