S-(4-ethylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate

Systemtic Name: S-(4-ethylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(4-ethylphenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-(4-ethylphenyl) ester IUPAC Name: S-(4-ethylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(4-ethylphenyl) ester Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC(=O)NC(C)(C)C#C

Isomeric SMILES

CCC1=CC=C(C=C1)SC(=O)NC(C)(C)C#C

InChI

InChI=1S/C14H17NOS/c1-5-11-7-9-12(10-8-11)17-13(16)15-14(3,4)6-2/h2,7-10H,5H2,1,3-4H3,(H,15,16)