(3-nitrophenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate

Systemtic Name: (3-nitrophenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(3-nitrophenyl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-(3-nitrobenzyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN=C(N)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CN=C(N)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c14-13(15-8-12-5-2-6-19-12)20-9-10-3-1-4-11(7-10)16(17)18/h1,3-4,7,12H,2,5-6,8-9H2,(H2,14,15)/t12-/m1/s1