4-[2-[[(2R)-oxolan-2-yl]methylcarbamothioyl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[[(2R)-oxolan-2-yl]methylcarbamothioyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]hydrazino]benzoic acid CAS Name: 4-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[[(2R)-oxolan-2-yl]methylcarbamothioyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]hydrazino]benzoic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)NNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H17N3O3S/c17-12(18)9-3-5-10(6-4-9)15-16-13(20)14-8-11-2-1-7-19-11/h3-6,11,15H,1-2,7-8H2,(H,17,18)(H2,14,16,20)/t11-/m1/s1