4-(2-phenylsulfanylethanoylsulfanylcarbamoylamino)benzoic acid

Systemtic Name: 4-(2-phenylsulfanylethanoylsulfanylcarbamoylamino)benzoic acid Openeye Name: 4-[(2-phenylsulfanylacetyl)sulfanylcarbamoylamino]benzoic acid CAS Name: 4-[[oxo-[[[1-oxo-2-(phenylthio)ethyl]thio]amino]methyl]amino]benzoic acid IUPAC Name: 4-[(2-phenylsulfanylacetyl)sulfanylcarbamoylamino]benzoic acid Traditional Name: 4-[[[2-(phenylthio)acetyl]thio]carbamoylamino]benzoic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)SNC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)SNC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14N2O4S2/c19-14(10-23-13-4-2-1-3-5-13)24-18-16(22)17-12-8-6-11(7-9-12)15(20)21/h1-9H,10H2,(H,20,21)(H2,17,18,22)