[(3R)-1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] pyrrolidine-1-carbodithioate

Systemtic Name: [(3R)-1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] pyrrolidine-1-carbodithioate Openeye Name: [(3R)-1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [(3R)-1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [(3R)-1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [(3R)-1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C18H21ClN2O2S2 MolecularWeight: 396.95454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC(=S)N2CCCC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)SC(=S)N2CCCC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN2O2S2/c19-14-8-6-13(7-9-14)16(22)21-12-2-1-5-15(17(21)23)25-18(24)20-10-3-4-11-20/h6-9,15H,1-5,10-12H2/t15-/m1/s1