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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)SC(=O)NC(C)(C)C#C

Isomeric SMILES

CCCCOC1=CC(=CC=C1)SC(=O)NC(C)(C)C#C

InChI

InChI=1S/C16H21NO2S/c1-5-7-11-19-13-9-8-10-14(12-13)20-15(18)17-16(3,4)6-2/h2,8-10,12H,5,7,11H2,1,3-4H3,(H,17,18)