(4-cyanophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-ethyl-(C-propoxycarbonimidoyl)azanium

Systemtic Name: (4-cyanophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-ethyl-(C-propoxycarbonimidoyl)azanium Openeye Name: (4-cyanophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-ethyl-(propoxycarbonimidoyl)ammonium CAS Name: [[[(4-cyanophenyl)thio]amino]-oxomethyl]-[dimethylamino(oxo)methyl]-ethyl-[imino(propoxy)methyl]ammonium IUPAC Name: (4-cyanophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-ethyl-(C-propoxycarbonimidoyl)azanium Traditional Name: [(4-cyanophenyl)thio]carbamoyl-(dimethylcarbamoyl)-ethyl-(propoxycarbonimidoyl)ammonium Formula: C17H24N5O3S+ MolecularWeight: 378.46916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=N)[N+](CC)(C(=O)NSC1=CC=C(C=C1)C#N)C(=O)N(C)C

Isomeric SMILES

CCCOC(=N)[N+](CC)(C(=O)NSC1=CC=C(C=C1)C#N)C(=O)N(C)C

InChI

InChI=1S/C17H23N5O3S/c1-5-11-25-15(19)22(6-2,17(24)21(3)4)16(23)20-26-14-9-7-13(12-18)8-10-14/h7-10,19H,5-6,11H2,1-4H3/p+1