3-[(4-chlorophenyl)methylcarbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-chlorophenyl)methylcarbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(4-chlorophenyl)methylcarbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(4-chlorophenyl)methylcarbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(4-chlorobenzyl)thiocarbamoylthio]propionic acid Formula: C11H12ClNO2S2 MolecularWeight: 289.80148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)SCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)SCCC(=O)O)Cl

InChI

InChI=1S/C11H12ClNO2S2/c12-9-3-1-8(2-4-9)7-13-11(16)17-6-5-10(14)15/h1-4H,5-7H2,(H,13,16)(H,14,15)