S-(3-methylsulfanylphenyl) N-butylcarbamothioate

Systemtic Name: S-(3-methylsulfanylphenyl) N-butylcarbamothioate Openeye Name: S-(3-methylsulfanylphenyl) N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[3-(methylthio)phenyl] ester IUPAC Name: S-(3-methylsulfanylphenyl) N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-[3-(methylthio)phenyl] ester Formula: C12H17NOS2 MolecularWeight: 255.39948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NOS2/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)