4-[2-(4-chloranylphenoxy)ethylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[2-(4-chloranylphenoxy)ethylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[2-(4-chlorophenoxy)ethylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[2-(4-chlorophenoxy)ethylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[2-(4-chlorophenoxy)ethylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[2-(4-chlorophenoxy)ethylthiocarbamoylthio]butyric acid Formula: C13H16ClNO3S2 MolecularWeight: 333.85404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCNC(=S)SCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCNC(=S)SCCCC(=O)O)Cl

InChI

InChI=1S/C13H16ClNO3S2/c14-10-3-5-11(6-4-10)18-8-7-15-13(19)20-9-1-2-12(16)17/h3-6H,1-2,7-9H2,(H,15,19)(H,16,17)