4-(phenylcarbonylcarbamothioylsulfanyl)butanoic acid

Systemtic Name: 4-(phenylcarbonylcarbamothioylsulfanyl)butanoic acid Openeye Name: 4-(benzoylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[benzamido(sulfanylidene)methyl]thio]butanoic acid IUPAC Name: 4-(benzoylcarbamothioylsulfanyl)butanoic acid Traditional Name: 4-(benzoylthiocarbamoylthio)butyric acid Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S2/c14-10(15)7-4-8-18-12(17)13-11(16)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15)(H,13,16,17)