[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-oxo-2-[5-(1-piperidylsulfonyl)indolin-1-yl]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-oxo-2-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethyl] ester IUPAC Name: [2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-(5-piperidinosulfonylindolin-1-yl)ethyl] ester Formula: C20H29N3O3S3 MolecularWeight: 455.65756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O3S3/c1-3-21(4-2)20(27)28-15-19(24)23-13-10-16-14-17(8-9-18(16)23)29(25,26)22-11-6-5-7-12-22/h8-9,14H,3-7,10-13,15H2,1-2H3