(4-cyanophenyl)sulfanylcarbamoyl-(diethylcarbamoyl)-(C-methoxycarbonimidoyl)-propan-2-yl-azanium

Systemtic Name: (4-cyanophenyl)sulfanylcarbamoyl-(diethylcarbamoyl)-(C-methoxycarbonimidoyl)-propan-2-yl-azanium Openeye Name: (4-cyanophenyl)sulfanylcarbamoyl-(diethylcarbamoyl)-isopropyl-(methoxycarbonimidoyl)ammonium CAS Name: [[[(4-cyanophenyl)thio]amino]-oxomethyl]-[diethylamino(oxo)methyl]-[imino(methoxy)methyl]-propan-2-ylammonium IUPAC Name: (4-cyanophenyl)sulfanylcarbamoyl-(diethylcarbamoyl)-(C-methoxycarbonimidoyl)-propan-2-ylazanium Traditional Name: [(4-cyanophenyl)thio]carbamoyl-(diethylcarbamoyl)-isopropyl-(methoxycarbonimidoyl)ammonium Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S/c1-6-22(7-2)18(25)23(13(3)4,16(20)26-5)17(24)21-27-15-10-8-14(12-19)9-11-15/h8-11,13,20H,6-7H2,1-5H3/p+1