3-[(4-methoxyphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(4-methoxyphenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[(4-methoxyanilino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(4-methoxyphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(4-methoxyphenyl)thiocarbamoylthio]propionic acid Formula: C11H13NO3S2 MolecularWeight: 271.35582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)SCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)SCCC(=O)O

InChI

InChI=1S/C11H13NO3S2/c1-15-9-4-2-8(3-5-9)12-11(16)17-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,16)(H,13,14)