5-[(4-chlorophenyl)methylcarbamothioylsulfanyl]pentanoic acid

Systemtic Name: 5-[(4-chlorophenyl)methylcarbamothioylsulfanyl]pentanoic acid Openeye Name: 5-[(4-chlorophenyl)methylcarbamothioylsulfanyl]pentanoic acid CAS Name: 5-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]thio]pentanoic acid IUPAC Name: 5-[(4-chlorophenyl)methylcarbamothioylsulfanyl]pentanoic acid Traditional Name: 5-[(4-chlorobenzyl)thiocarbamoylthio]valeric acid Formula: C13H16ClNO2S2 MolecularWeight: 317.85464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2S2/c14-11-6-4-10(5-7-11)9-15-13(18)19-8-2-1-3-12(16)17/h4-7H,1-3,8-9H2,(H,15,18)(H,16,17)