3-(furan-2-ylmethylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(furan-2-ylmethylcarbamothioylamino)benzoic acid Openeye Name: 3-(2-furylmethylcarbamothioylamino)benzoic acid CAS Name: 3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(furan-2-ylmethylcarbamothioylamino)benzoic acid Traditional Name: 3-(2-furfurylthiocarbamoylamino)benzoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NCC2=CC=CO2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NCC2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-12(17)9-3-1-4-10(7-9)15-13(19)14-8-11-5-2-6-18-11/h1-7H,8H2,(H,16,17)(H2,14,15,19)