O-octadecyl N-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate

Systemtic Name: O-octadecyl N-[4-chloranyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioate Openeye Name: O-octadecyl N-(4-chloro-1,1-dioxo-thiolan-3-yl)carbamothioate CAS Name: N-(4-chloro-1,1-dioxo-3-thiolanyl)carbamothioic acid O-octadecyl ester IUPAC Name: O-octadecyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamothioate Traditional Name: N-(4-chloro-1,1-diketo-thiolan-3-yl)thiocarbamic acid O-stearyl ester Formula: C23H44ClNO3S2 MolecularWeight: 482.18336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=S)NC1CS(=O)(=O)CC1Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=S)NC1CS(=O)(=O)CC1Cl

InChI

InChI=1S/C23H44ClNO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-23(29)25-22-20-30(26,27)19-21(22)24/h21-22H,2-20H2,1H3,(H,25,29)