3-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid Openeye Name: 3-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoic acid CAS Name: 3-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid Traditional Name: 3-(tetrahydrofurfurylthiocarbamoylamino)benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c16-12(17)9-3-1-4-10(7-9)15-13(19)14-8-11-5-2-6-18-11/h1,3-4,7,11H,2,5-6,8H2,(H,16,17)(H2,14,15,19)