[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C21H27N3O3S3 MolecularWeight: 465.65238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H27N3O3S3/c1-3-22(4-2)21(28)29-16-20(25)23-11-13-24(14-12-23)30(26,27)19-10-9-17-7-5-6-8-18(17)15-19/h5-10,15H,3-4,11-14,16H2,1-2H3