butyl-(diethylcarbamoyl)-(phenylsulfanylcarbamoyl)-(C-prop-2-enoxycarbonimidoyl)azanium

Systemtic Name: butyl-(diethylcarbamoyl)-(phenylsulfanylcarbamoyl)-(C-prop-2-enoxycarbonimidoyl)azanium Openeye Name: (allyloxycarbonimidoyl)-butyl-(diethylcarbamoyl)-(phenylsulfanylcarbamoyl)ammonium CAS Name: butyl-[diethylamino(oxo)methyl]-[imino(prop-2-enoxy)methyl]-[oxo-[(phenylthio)amino]methyl]ammonium IUPAC Name: butyl-(diethylcarbamoyl)-(phenylsulfanylcarbamoyl)-(C-prop-2-enoxycarbonimidoyl)azanium Traditional Name: (allyloxycarbonimidoyl)-butyl-(diethylcarbamoyl)-[(phenylthio)carbamoyl]ammonium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-5-9-15-24(18(21)27-16-6-2,20(26)23(7-3)8-4)19(25)22-28-17-13-11-10-12-14-17/h6,10-14,21H,2,5,7-9,15-16H2,1,3-4H3/p+1