S-(4-butoxyphenyl) N-pent-4-ynylcarbamothioate

Systemtic Name: S-(4-butoxyphenyl) N-pent-4-ynylcarbamothioate Openeye Name: S-(4-butoxyphenyl) N-pent-4-ynylcarbamothioate CAS Name: N-pent-4-ynylcarbamothioic acid S-(4-butoxyphenyl) ester IUPAC Name: S-(4-butoxyphenyl) N-pent-4-ynylcarbamothioate Traditional Name: N-pent-4-ynylthiocarbamic acid S-(4-butoxyphenyl) ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC(=O)NCCCC#C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC(=O)NCCCC#C

InChI

InChI=1S/C16H21NO2S/c1-3-5-7-12-17-16(18)20-15-10-8-14(9-11-15)19-13-6-4-2/h1,8-11H,4-7,12-13H2,2H3,(H,17,18)