2-[methyl-(phenylmethylsulfanyl)carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(phenylmethylsulfanyl)carbothioyl-amino]ethanoic acid Openeye Name: 2-[benzylsulfanylcarbothioyl(methyl)amino]acetic acid CAS Name: 2-[methyl-[(phenylmethylthio)-sulfanylidenemethyl]amino]acetic acid IUPAC Name: 2-[benzylsulfanylcarbothioyl(methyl)amino]acetic acid Traditional Name: 2-[(benzylthio)carbothioyl-methyl-amino]acetic acid Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)SCC1=CC=CC=C1

Isomeric SMILES

CN(CC(=O)O)C(=S)SCC1=CC=CC=C1

InChI

InChI=1S/C11H13NO2S2/c1-12(7-10(13)14)11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)