S-(3-tert-butylphenyl) N-pent-1-yn-3-ylcarbamothioate

Systemtic Name: S-(3-tert-butylphenyl) N-pent-1-yn-3-ylcarbamothioate Openeye Name: S-(3-tert-butylphenyl) N-(1-ethylprop-2-ynyl)carbamothioate CAS Name: N-pent-1-yn-3-ylcarbamothioic acid S-(3-tert-butylphenyl) ester IUPAC Name: S-(3-tert-butylphenyl) N-pent-1-yn-3-ylcarbamothioate Traditional Name: N-(1-ethylprop-2-ynyl)thiocarbamic acid S-(3-tert-butylphenyl) ester Formula: C16H21NOS MolecularWeight: 275.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)NC(=O)SC1=CC=CC(=C1)C(C)(C)C

Isomeric SMILES

CCC(C#C)NC(=O)SC1=CC=CC(=C1)C(C)(C)C

InChI

InChI=1S/C16H21NOS/c1-6-13(7-2)17-15(18)19-14-10-8-9-12(11-14)16(3,4)5/h1,8-11,13H,7H2,2-5H3,(H,17,18)