[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl] ester Formula: C17H24N4O3S3 MolecularWeight: 428.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

InChI

InChI=1S/C17H24N4O3S3/c1-3-21(4-2)17(25)26-12-16(22)19-13-7-5-8-14(11-13)27(23,24)20-15-9-6-10-18-15/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,18,20)(H,19,22)