S-(3-methoxyphenyl) N-butylcarbamothioate

Systemtic Name: S-(3-methoxyphenyl) N-butylcarbamothioate Openeye Name: S-(3-methoxyphenyl) N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-(3-methoxyphenyl) ester IUPAC Name: S-(3-methoxyphenyl) N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-(3-methoxyphenyl) ester Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)SC1=CC=CC(=C1)OC

Isomeric SMILES

CCCCNC(=O)SC1=CC=CC(=C1)OC

InChI

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