[(2R)-1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] N,N-diethylcarbamodithioate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] N,N-diethylcarbamodithioate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [(2R)-1-oxo-1-[3-(1-piperidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)propan-2-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [(1R)-2-keto-1-methyl-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C19H29N3O3S3 MolecularWeight: 443.64686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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