S-[3-[(2S)-butan-2-yl]phenyl] N-but-3-yn-2-ylcarbamothioate

Systemtic Name: S-[3-[(2S)-butan-2-yl]phenyl] N-but-3-yn-2-ylcarbamothioate Openeye Name: S-[3-[(1S)-1-methylpropyl]phenyl] N-(1-methylprop-2-ynyl)carbamothioate CAS Name: N-but-3-yn-2-ylcarbamothioic acid S-[3-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: S-[3-[(2S)-butan-2-yl]phenyl] N-but-3-yn-2-ylcarbamothioate Traditional Name: N-(1-methylprop-2-ynyl)thiocarbamic acid S-[3-[(1S)-1-methylpropyl]phenyl] ester Formula: C15H19NOS MolecularWeight: 261.38246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC(=CC=C1)SC(=O)NC(C)C#C

InChI

InChI=1S/C15H19NOS/c1-5-11(3)13-8-7-9-14(10-13)18-15(17)16-12(4)6-2/h2,7-12H,5H2,1,3-4H3,(H,16,17)/t11-,12?/m0/s1