[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-keto-ethyl] ester Formula: C19H27N3O5S3 MolecularWeight: 473.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H27N3O5S3/c1-3-20(4-2)19(28)29-14-18(23)21-7-9-22(10-8-21)30(24,25)15-5-6-16-17(13-15)27-12-11-26-16/h5-6,13H,3-4,7-12,14H2,1-2H3