[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C18H26N2O3S3 MolecularWeight: 414.60564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O3S3/c1-3-19(4-2)18(24)25-14-17(21)15-8-10-16(11-9-15)26(22,23)20-12-6-5-7-13-20/h8-11H,3-7,12-14H2,1-2H3