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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NOS/c1-7-16(5,6)17-14(18)19-13-10-8-9-12(11-13)15(2,3)4/h1,8-11H,2-6H3,(H,17,18)