S-(3-butylphenyl) N-but-3-yn-2-ylcarbamothioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)SC(=O)NC(C)C#C

Isomeric SMILES

CCCCC1=CC(=CC=C1)SC(=O)NC(C)C#C

InChI

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