4-(phenylcarbamothioylsulfanyl)butanoic acid

Systemtic Name: 4-(phenylcarbamothioylsulfanyl)butanoic acid Openeye Name: 4-(phenylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[anilino(sulfanylidene)methyl]thio]butanoic acid IUPAC Name: 4-(phenylcarbamothioylsulfanyl)butanoic acid Traditional Name: 4-(phenylthiocarbamoylthio)butyric acid Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2S2/c13-10(14)7-4-8-16-11(15)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)