[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C19H25N3O3S3 MolecularWeight: 439.6151

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C19H25N3O3S3/c1-5-21(6-2)19(26)27-12-18(23)17-11-13(3)22(14(17)4)15-7-9-16(10-8-15)28(20,24)25/h7-11H,5-6,12H2,1-4H3,(H2,20,24,25)