[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C17H25N3O3S3 MolecularWeight: 415.5937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S3/c1-3-18(4-2)17(24)25-14-16(21)19-10-12-20(13-11-19)26(22,23)15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3