[3-oxidanylidene-3-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propyl] N,N-diethylcarbamodithioate

Systemtic Name: [3-oxidanylidene-3-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propyl] N,N-diethylcarbamodithioate Openeye Name: [3-oxo-3-(3-pyrrolidin-1-ylsulfonylanilino)propyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [3-oxo-3-[3-(1-pyrrolidinylsulfonyl)anilino]propyl] ester IUPAC Name: [3-oxo-3-(3-pyrrolidin-1-ylsulfonylanilino)propyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [3-keto-3-(3-pyrrolidinosulfonylanilino)propyl] ester Formula: C18H27N3O3S3 MolecularWeight: 429.62028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCN(CC)C(=S)SCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H27N3O3S3/c1-3-20(4-2)18(25)26-13-10-17(22)19-15-8-7-9-16(14-15)27(23,24)21-11-5-6-12-21/h7-9,14H,3-6,10-13H2,1-2H3,(H,19,22)