(3-chlorophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-propan-2-yl-(C-propoxycarbonimidoyl)azanium

Systemtic Name: (3-chlorophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-propan-2-yl-(C-propoxycarbonimidoyl)azanium Openeye Name: (3-chlorophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-isopropyl-(propoxycarbonimidoyl)ammonium CAS Name: [[[(3-chlorophenyl)thio]amino]-oxomethyl]-[dimethylamino(oxo)methyl]-[imino(propoxy)methyl]-propan-2-ylammonium IUPAC Name: (3-chlorophenyl)sulfanylcarbamoyl-(dimethylcarbamoyl)-propan-2-yl-(C-propoxycarbonimidoyl)azanium Traditional Name: [(3-chlorophenyl)thio]carbamoyl-(dimethylcarbamoyl)-isopropyl-(propoxycarbonimidoyl)ammonium Formula: C17H26ClN4O3S+ MolecularWeight: 401.93134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O3S/c1-6-10-25-15(19)22(12(2)3,17(24)21(4)5)16(23)20-26-14-9-7-8-13(18)11-14/h7-9,11-12,19H,6,10H2,1-5H3/p+1