3-[3,5-bis(chloranyl)phenyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate Openeye Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate CAS Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione; N,N-dimethylcarbamothioic acid S-[[dimethylamino(oxo)methyl]thio] ester IUPAC Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione; S-(dimethylcarbamoylsulfanyl) N,N-dimethylcarbamothioate Traditional Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-quinone; N,N-dimethylthiocarbamic acid S-(dimethylcarbamoylthio) ester Formula: C19H23Cl2N3O4S2 MolecularWeight: 492.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C.CN(C)C(=O)SSC(=O)N(C)C

Isomeric SMILES

CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C.CN(C)C(=O)SSC(=O)N(C)C

InChI

InChI=1S/C13H11Cl2NO2.C6H12N2O2S2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9;1-7(2)5(9)11-12-6(10)8(3)4/h3-5H,6H2,1-2H3;1-4H3