O-(phenylmethyl) N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]carbamothioate

Systemtic Name: O-(phenylmethyl) N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]carbamothioate Openeye Name: O-benzyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]carbamothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]thiocarbamic acid O-benzyl ester Formula: C13H17NO3S2 MolecularWeight: 299.40898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC(=S)OCC2=CC=CC=C2

Isomeric SMILES

C1CS(=O)(=O)CC1CNC(=S)OCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO3S2/c15-19(16)7-6-12(10-19)8-14-13(18)17-9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,14,18)