S-(3-methoxyphenyl) N-butan-2-ylcarbamothioate

Systemtic Name: S-(3-methoxyphenyl) N-butan-2-ylcarbamothioate Openeye Name: S-(3-methoxyphenyl) N-sec-butylcarbamothioate CAS Name: N-butan-2-ylcarbamothioic acid S-(3-methoxyphenyl) ester IUPAC Name: S-(3-methoxyphenyl) N-butan-2-ylcarbamothioate Traditional Name: N-sec-butylthiocarbamic acid S-(3-methoxyphenyl) ester Formula: C12H17NO2S MolecularWeight: 239.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-4-9(2)13-12(14)16-11-7-5-6-10(8-11)15-3/h5-9H,4H2,1-3H3,(H,13,14)