[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] carbamimidothioate bromide

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] carbamimidothioate bromide Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]isothiourea bromide CAS Name: carbamimidothioic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester bromide IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] carbamimidothioate bromide Traditional Name: 2-(2-keto-2-mesityl-ethyl)isothiourea bromide Formula: C12H16BrN2OS- MolecularWeight: 316.23724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC(=N)N)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC(=N)N)C.[Br-]

InChI

InChI=1S/C12H16N2OS.BrH/c1-7-4-8(2)11(9(3)5-7)10(15)6-16-12(13)14;/h4-5H,6H2,1-3H3,(H3,13,14);1H/p-1