S-[4-(2-methylpropoxy)phenyl] N-(2-methylbut-3-yn-2-yl)carbamothioate

Systemtic Name: S-[4-(2-methylpropoxy)phenyl] N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(4-isobutoxyphenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-[4-(2-methylpropoxy)phenyl] ester IUPAC Name: S-[4-(2-methylpropoxy)phenyl] N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(4-isobutoxyphenyl) ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)SC(=O)NC(C)(C)C#C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)SC(=O)NC(C)(C)C#C

InChI

InChI=1S/C16H21NO2S/c1-6-16(4,5)17-15(18)20-14-9-7-13(8-10-14)19-11-12(2)3/h1,7-10,12H,11H2,2-5H3,(H,17,18)