4-[[[(2S)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoate

Systemtic Name: 4-[[[(2S)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoate Openeye Name: 4-[[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]methyl]benzoate CAS Name: 4-[[[[[(2S)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[[(2S)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoate Traditional Name: 4-[[[(2S)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]methyl]benzoate Formula: C14H17N2O3S- MolecularWeight: 293.36138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H18N2O3S/c17-13(18)11-5-3-10(4-6-11)8-15-14(20)16-9-12-2-1-7-19-12/h3-6,12H,1-2,7-9H2,(H,17,18)(H2,15,16,20)/p-1/t12-/m0/s1