[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [(2R)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [(1R)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C19H29N3O3S3 MolecularWeight: 443.64686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCN(CC)C(=S)S[C@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H29N3O3S3/c1-4-21(5-2)19(26)27-15(3)18(23)20-16-9-11-17(12-10-16)28(24,25)22-13-7-6-8-14-22/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,23)/t15-/m1/s1