2-chloranyl-4-(furan-2-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 2-chloranyl-4-(furan-2-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 2-chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid CAS Name: 2-chloro-4-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-(furan-2-carbonylcarbamothioylamino)benzoic acid Traditional Name: 2-chloro-4-(2-furoylthiocarbamoylamino)benzoic acid Formula: C13H9ClN2O4S MolecularWeight: 324.73956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=COC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C13H9ClN2O4S/c14-9-6-7(3-4-8(9)12(18)19)15-13(21)16-11(17)10-2-1-5-20-10/h1-6H,(H,18,19)(H2,15,16,17,21)