S-octadecyl N-(2,6-dimethylphenyl)carbamothioate

Systemtic Name: S-octadecyl N-(2,6-dimethylphenyl)carbamothioate Openeye Name: S-octadecyl N-(2,6-dimethylphenyl)carbamothioate CAS Name: N-(2,6-dimethylphenyl)carbamothioic acid S-octadecyl ester IUPAC Name: S-octadecyl N-(2,6-dimethylphenyl)carbamothioate Traditional Name: N-(2,6-dimethylphenyl)thiocarbamic acid S-stearyl ester Formula: C27H47NOS MolecularWeight: 433.73318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C27H47NOS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-27(29)28-26-24(2)21-20-22-25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29)