[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C19H29N3O3S3 MolecularWeight: 443.64686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)C)C

InChI

InChI=1S/C19H29N3O3S3/c1-5-20(6-2)19(26)27-14-18(23)21-9-11-22(12-10-21)28(24,25)17-8-7-15(3)13-16(17)4/h7-8,13H,5-6,9-12,14H2,1-4H3