4-[[2,5-bis(chloranyl)phenyl]methylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]methylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[(2,5-dichlorophenyl)methylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[(2,5-dichlorophenyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(2,5-dichlorophenyl)methylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[(2,5-dichlorobenzyl)thiocarbamoylthio]butyric acid Formula: C12H13Cl2NO2S2 MolecularWeight: 338.27312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CNC(=S)SCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)CNC(=S)SCCCC(=O)O)Cl

InChI

InChI=1S/C12H13Cl2NO2S2/c13-9-3-4-10(14)8(6-9)7-15-12(18)19-5-1-2-11(16)17/h3-4,6H,1-2,5,7H2,(H,15,18)(H,16,17)