S-(4-butylphenyl) N-but-3-yn-2-ylcarbamothioate

Systemtic Name: S-(4-butylphenyl) N-but-3-yn-2-ylcarbamothioate Openeye Name: S-(4-butylphenyl) N-(1-methylprop-2-ynyl)carbamothioate CAS Name: N-but-3-yn-2-ylcarbamothioic acid S-(4-butylphenyl) ester IUPAC Name: S-(4-butylphenyl) N-but-3-yn-2-ylcarbamothioate Traditional Name: N-(1-methylprop-2-ynyl)thiocarbamic acid S-(4-butylphenyl) ester Formula: C15H19NOS MolecularWeight: 261.38246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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