[2-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidin-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-keto-2-[2-[2-(4-mesylphenyl)acetyl]pyrazolidin-1-yl]ethyl] ester Formula: C17H23N3O4S3 MolecularWeight: 429.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=S)SCC(=O)N1CCCN1C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O4S3/c1-18(2)17(25)26-12-16(22)20-10-4-9-19(20)15(21)11-13-5-7-14(8-6-13)27(3,23)24/h5-8H,4,9-12H2,1-3H3