S-(3-butylphenyl) N-(2-methylbut-3-yn-2-yl)carbamothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NOS/c1-5-7-9-13-10-8-11-14(12-13)19-15(18)17-16(3,4)6-2/h2,8,10-12H,5,7,9H2,1,3-4H3,(H,17,18)