but-2-ynyl-(dimethylcarbamoyl)-(phenylsulfanylcarbamoyl)-(C-prop-2-enoxycarbonimidoyl)azanium

Systemtic Name: but-2-ynyl-(dimethylcarbamoyl)-(phenylsulfanylcarbamoyl)-(C-prop-2-enoxycarbonimidoyl)azanium Openeye Name: (allyloxycarbonimidoyl)-but-2-ynyl-(dimethylcarbamoyl)-(phenylsulfanylcarbamoyl)ammonium CAS Name: but-2-ynyl-[dimethylamino(oxo)methyl]-[imino(prop-2-enoxy)methyl]-[oxo-[(phenylthio)amino]methyl]ammonium IUPAC Name: but-2-ynyl-(dimethylcarbamoyl)-(phenylsulfanylcarbamoyl)-(C-prop-2-enoxycarbonimidoyl)azanium Traditional Name: (allyloxycarbonimidoyl)-but-2-ynyl-(dimethylcarbamoyl)-[(phenylthio)carbamoyl]ammonium Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-5-7-13-22(18(24)21(3)4,16(19)25-14-6-2)17(23)20-26-15-11-9-8-10-12-15/h6,8-12,19H,2,13-14H2,1,3-4H3/p+1