4-[(phenylmethyl)carbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(phenylmethyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-(benzylcarbamothioylsulfanyl)butanoic acid CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-(benzylcarbamothioylsulfanyl)butanoic acid Traditional Name: 4-(benzylthiocarbamoylthio)butyric acid Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S2/c14-11(15)7-4-8-17-12(16)13-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,16)(H,14,15)