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

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] carbamimidothioate Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]isothiourea CAS Name: carbamimidothioic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] carbamimidothioate Traditional Name: 2-(2-keto-2-mesityl-ethyl)isothiourea Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC(=N)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC(=N)N)C

InChI

InChI=1S/C12H16N2OS/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)