4-[(4-methoxyphenyl)methylcarbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylcarbamothioylsulfanyl]butanoic acid Openeye Name: 4-[(4-methoxyphenyl)methylcarbamothioylsulfanyl]butanoic acid CAS Name: 4-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(4-methoxyphenyl)methylcarbamothioylsulfanyl]butanoic acid Traditional Name: 4-(p-anisylthiocarbamoylthio)butyric acid Formula: C13H17NO3S2 MolecularWeight: 299.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)SCCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)SCCCC(=O)O

InChI

InChI=1S/C13H17NO3S2/c1-17-11-6-4-10(5-7-11)9-14-13(18)19-8-2-3-12(15)16/h4-7H,2-3,8-9H2,1H3,(H,14,18)(H,15,16)