3-[2-(4-chlorophenyl)ethylcarbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(4-chlorophenyl)ethylcarbamothioylsulfanyl]propanoic acid Openeye Name: 3-[2-(4-chlorophenyl)ethylcarbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-chlorophenyl)ethylcarbamothioylsulfanyl]propanoic acid Traditional Name: 3-[2-(4-chlorophenyl)ethylthiocarbamoylthio]propionic acid Formula: C12H14ClNO2S2 MolecularWeight: 303.82806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)SCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)SCCC(=O)O)Cl

InChI

InChI=1S/C12H14ClNO2S2/c13-10-3-1-9(2-4-10)5-7-14-12(17)18-8-6-11(15)16/h1-4H,5-8H2,(H,14,17)(H,15,16)