4-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid Openeye Name: 4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)benzoic acid CAS Name: 4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(oxolan-2-ylmethylcarbamothioylamino)benzoic acid Traditional Name: 4-(tetrahydrofurfurylthiocarbamoylamino)benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c16-12(17)9-3-5-10(6-4-9)15-13(19)14-8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H,16,17)(H2,14,15,19)