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

Systemtic Name: S-(4-propylphenyl) N-but-3-yn-2-ylcarbamothioate Openeye Name: S-(4-propylphenyl) N-(1-methylprop-2-ynyl)carbamothioate CAS Name: N-but-3-yn-2-ylcarbamothioic acid S-(4-propylphenyl) ester IUPAC Name: S-(4-propylphenyl) N-but-3-yn-2-ylcarbamothioate Traditional Name: N-(1-methylprop-2-ynyl)thiocarbamic acid S-(4-propylphenyl) ester Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NOS/c1-4-6-12-7-9-13(10-8-12)17-14(16)15-11(3)5-2/h2,7-11H,4,6H2,1,3H3,(H,15,16)