S-[3-(dimethylcarbamoylsulfanyl)-5-isocyano-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[3-(dimethylcarbamoylsulfanyl)-5-isocyano-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[3-(dimethylcarbamoylsulfanyl)-5-isocyano-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[3-[[dimethylamino(oxo)methyl]thio]-5-isocyanophenyl] ester IUPAC Name: S-[3-(dimethylcarbamoylsulfanyl)-5-isocyanophenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[3-(dimethylcarbamoylthio)-5-isocyano-phenyl] ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=CC(=CC(=C1)[N+]#[C-])SC(=O)N(C)C

Isomeric SMILES

CN(C)C(=O)SC1=CC(=CC(=C1)[N+]#[C-])SC(=O)N(C)C

InChI

InChI=1S/C13H15N3O2S2/c1-14-9-6-10(19-12(17)15(2)3)8-11(7-9)20-13(18)16(4)5/h6-8H,2-5H3