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

Systemtic Name: 4-[(4-methylphenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-(p-tolylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[(4-methylanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(4-methylphenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 4-(p-tolylthiocarbamoylthio)butyric acid Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S2/c1-9-4-6-10(7-5-9)13-12(16)17-8-2-3-11(14)15/h4-7H,2-3,8H2,1H3,(H,13,16)(H,14,15)