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

Systemtic Name: S-(4-propylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(4-propylphenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-(4-propylphenyl) ester IUPAC Name: S-(4-propylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(4-propylphenyl) ester Formula: C15H19NOS MolecularWeight: 261.38246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)SC(=O)NC(C)(C)C#C

Isomeric SMILES

CCCC1=CC=C(C=C1)SC(=O)NC(C)(C)C#C

InChI

InChI=1S/C15H19NOS/c1-5-7-12-8-10-13(11-9-12)18-14(17)16-15(3,4)6-2/h2,8-11H,5,7H2,1,3-4H3,(H,16,17)