S-[3-(2-methylpropyl)phenyl] N-pent-4-ynylcarbamothioate

Systemtic Name: S-[3-(2-methylpropyl)phenyl] N-pent-4-ynylcarbamothioate Openeye Name: S-(3-isobutylphenyl) N-pent-4-ynylcarbamothioate CAS Name: N-pent-4-ynylcarbamothioic acid S-[3-(2-methylpropyl)phenyl] ester IUPAC Name: S-[3-(2-methylpropyl)phenyl] N-pent-4-ynylcarbamothioate Traditional Name: N-pent-4-ynylthiocarbamic acid S-(3-isobutylphenyl) ester Formula: C16H21NOS MolecularWeight: 275.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC=C1)SC(=O)NCCCC#C

Isomeric SMILES

CC(C)CC1=CC(=CC=C1)SC(=O)NCCCC#C

InChI

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