2-(benzenecarbonothioylamino)-3-methyl-butanoate

Systemtic Name: 2-(benzenecarbonothioylamino)-3-methyl-butanoate Openeye Name: 2-(benzenecarbonothioylamino)-3-methyl-butanoate CAS Name: 2-(benzenecarbonothioylamino)-3-methylbutanoate IUPAC Name: 2-(benzenecarbonothioylamino)-3-methylbutanoate Traditional Name: 2-(benzenecarbonothioylamino)-3-methyl-butyrate Formula: C12H14NO2S- MolecularWeight: 236.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=S)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)[O-])NC(=S)C1=CC=CC=C1

InChI

InChI=1S/C12H15NO2S/c1-8(2)10(12(14)15)13-11(16)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)(H,14,15)/p-1