4-[(2-methylphenyl)carbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(2-methylphenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-(o-tolylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[(2-methylanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(2-methylphenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 4-(o-tolylthiocarbamoylthio)butyric acid Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)SCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=S)SCCCC(=O)O

InChI

InChI=1S/C12H15NO2S2/c1-9-5-2-3-6-10(9)13-12(16)17-8-4-7-11(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,16)(H,14,15)