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

Systemtic Name: O-hexyl N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]carbamothioate Openeye Name: O-hexyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]carbamothioic acid O-hexyl ester IUPAC Name: O-hexyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]thiocarbamic acid O-hexyl ester Formula: C12H23NO3S2 MolecularWeight: 293.44592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=S)NCC1CCS(=O)(=O)C1

Isomeric SMILES

CCCCCCOC(=S)NCC1CCS(=O)(=O)C1

InChI

InChI=1S/C12H23NO3S2/c1-2-3-4-5-7-16-12(17)13-9-11-6-8-18(14,15)10-11/h11H,2-10H2,1H3,(H,13,17)