3-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-1-octadecyl-thiourea

Systemtic Name: 3-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-1-octadecyl-thiourea Openeye Name: 3-(4-chloro-1,1-dioxo-thiolan-3-yl)-1-methyl-1-octadecyl-thiourea CAS Name: 3-(4-chloro-1,1-dioxo-3-thiolanyl)-1-methyl-1-octadecylthiourea IUPAC Name: 3-(4-chloro-1,1-dioxothiolan-3-yl)-1-methyl-1-octadecylthiourea Traditional Name: 3-(4-chloro-1,1-diketo-thiolan-3-yl)-1-methyl-1-stearyl-thiourea Formula: C24H47ClN2O2S2 MolecularWeight: 495.22518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=S)NC1CS(=O)(=O)CC1Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=S)NC1CS(=O)(=O)CC1Cl

InChI

InChI=1S/C24H47ClN2O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(2)24(30)26-23-21-31(28,29)20-22(23)25/h22-23H,3-21H2,1-2H3,(H,26,30)