S-octadecyl N-(2,4,6-trimethoxyphenyl)carbamothioate

Systemtic Name: S-octadecyl N-(2,4,6-trimethoxyphenyl)carbamothioate Openeye Name: S-octadecyl N-(2,4,6-trimethoxyphenyl)carbamothioate CAS Name: N-(2,4,6-trimethoxyphenyl)carbamothioic acid S-octadecyl ester IUPAC Name: S-octadecyl N-(2,4,6-trimethoxyphenyl)carbamothioate Traditional Name: N-(2,4,6-trimethoxyphenyl)thiocarbamic acid S-stearyl ester Formula: C28H49NO4S MolecularWeight: 495.75796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)NC1=C(C=C(C=C1OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)NC1=C(C=C(C=C1OC)OC)OC

InChI

InChI=1S/C28H49NO4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-28(30)29-27-25(32-3)22-24(31-2)23-26(27)33-4/h22-23H,5-21H2,1-4H3,(H,29,30)