4-[(3-methylphenyl)carbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(3-methylphenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-(m-tolylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(3-methylphenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 4-(m-tolylthiocarbamoylthio)butyric acid Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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