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

Systemtic Name: S-(3-methylsulfanylphenyl) N-butan-2-ylcarbamothioate Openeye Name: S-(3-methylsulfanylphenyl) N-sec-butylcarbamothioate CAS Name: N-butan-2-ylcarbamothioic acid S-[3-(methylthio)phenyl] ester IUPAC Name: S-(3-methylsulfanylphenyl) N-butan-2-ylcarbamothioate Traditional Name: N-sec-butylthiocarbamic acid S-[3-(methylthio)phenyl] ester Formula: C12H17NOS2 MolecularWeight: 255.39948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NOS2/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)