2-[(phenylmethyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 2-[(phenylmethyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 2-(benzylcarbamothioylsulfanyl)propanoic acid CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 2-(benzylcarbamothioylsulfanyl)propanoic acid Traditional Name: 2-(benzylthiocarbamoylthio)propionic acid Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SC(=S)NCC1=CC=CC=C1

InChI

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