(4-bromophenyl)sulfanylcarbamoyl-(dibutylcarbamoyl)-(C-methoxycarbonimidoyl)-propyl-azanium

Systemtic Name: (4-bromophenyl)sulfanylcarbamoyl-(dibutylcarbamoyl)-(C-methoxycarbonimidoyl)-propyl-azanium Openeye Name: (4-bromophenyl)sulfanylcarbamoyl-(dibutylcarbamoyl)-(methoxycarbonimidoyl)-propyl-ammonium CAS Name: [[[(4-bromophenyl)thio]amino]-oxomethyl]-[(dibutylamino)-oxomethyl]-[imino(methoxy)methyl]-propylammonium IUPAC Name: (4-bromophenyl)sulfanylcarbamoyl-(dibutylcarbamoyl)-(C-methoxycarbonimidoyl)-propylazanium Traditional Name: [(4-bromophenyl)thio]carbamoyl-(dibutylcarbamoyl)-(methoxycarbonimidoyl)-propyl-ammonium Formula: C21H34BrN4O3S+ MolecularWeight: 502.48866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)[N+](CCC)(C(=N)OC)C(=O)NSC1=CC=C(C=C1)Br

Isomeric SMILES

CCCCN(CCCC)C(=O)[N+](CCC)(C(=N)OC)C(=O)NSC1=CC=C(C=C1)Br

InChI

InChI=1S/C21H33BrN4O3S/c1-5-8-14-25(15-9-6-2)21(28)26(16-7-3,19(23)29-4)20(27)24-30-18-12-10-17(22)11-13-18/h10-13,23H,5-9,14-16H2,1-4H3/p+1