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

Systemtic Name: S-[3-(2-methylpropyl)phenyl] N-(2-methylbut-3-yn-2-yl)carbamothioate Openeye Name: S-(3-isobutylphenyl) N-(1,1-dimethylprop-2-ynyl)carbamothioate CAS Name: N-(2-methylbut-3-yn-2-yl)carbamothioic acid S-[3-(2-methylpropyl)phenyl] ester IUPAC Name: S-[3-(2-methylpropyl)phenyl] N-(2-methylbut-3-yn-2-yl)carbamothioate Traditional Name: N-(1,1-dimethylprop-2-ynyl)thiocarbamic acid S-(3-isobutylphenyl) ester Formula: C16H21NOS MolecularWeight: 275.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NOS/c1-6-16(4,5)17-15(18)19-14-9-7-8-13(11-14)10-12(2)3/h1,7-9,11-12H,10H2,2-5H3,(H,17,18)