S-(3-methylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate

Systemtic Name: S-(3-methylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(m-tolyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-(3-methylphenyl) ester IUPAC Name: S-(3-methylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(m-tolyl) ester Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC(=O)NC(C)(C)C#C

Isomeric SMILES

CC1=CC(=CC=C1)SC(=O)NC(C)(C)C#C

InChI

InChI=1S/C13H15NOS/c1-5-13(3,4)14-12(15)16-11-8-6-7-10(2)9-11/h1,6-9H,2-4H3,(H,14,15)