N'-[(E)-C-methyl-N-(trimethylazaniumyl)carbonimidoyl]-N-phenyl-carbamimidothioate

Systemtic Name: N'-[(E)-C-methyl-N-(trimethylazaniumyl)carbonimidoyl]-N-phenyl-carbamimidothioate Openeye Name: N'-[(E)-C-methyl-N-(trimethylammonio)carbonimidoyl]-N-phenyl-carbamimidothioate CAS Name: N-phenyl-N'-[(1E)-1-(trimethylammonio)iminoethyl]carbamimidothioate IUPAC Name: N'-[(E)-C-methyl-N-(trimethylazaniumyl)carbonimidoyl]-N-phenylcarbamimidothioate Traditional Name: N'-[(E)-C-methyl-N-(trimethylammonio)carbonimidoyl]-N-phenyl-carbamimidothioate Formula: C12H18N4S MolecularWeight: 250.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[N+](C)(C)C)N=C(NC1=CC=CC=C1)[S-]

Isomeric SMILES

C/C(=N\[N+](C)(C)C)/N=C(NC1=CC=CC=C1)[S-]

InChI

InChI=1S/C12H18N4S/c1-10(15-16(2,3)4)13-12(17)14-11-8-6-5-7-9-11/h5-9H,1-4H3,(H-,13,14,15,17)