4-[(4-methylphenyl)methylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(4-methylphenyl)methylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-(p-tolylmethylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(4-methylphenyl)methylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-[(4-methylbenzyl)thiocarbamoylthio]butyric acid Formula: C13H17NO2S2 MolecularWeight: 283.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)SCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)SCCCC(=O)O

InChI

InChI=1S/C13H17NO2S2/c1-10-4-6-11(7-5-10)9-14-13(17)18-8-2-3-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,17)(H,15,16)