S-dodecyl N-[2-(trifluoromethyl)phenyl]carbamothioate

Systemtic Name: S-dodecyl N-[2-(trifluoromethyl)phenyl]carbamothioate Openeye Name: S-dodecyl N-[2-(trifluoromethyl)phenyl]carbamothioate CAS Name: N-[2-(trifluoromethyl)phenyl]carbamothioic acid S-dodecyl ester IUPAC Name: S-dodecyl N-[2-(trifluoromethyl)phenyl]carbamothioate Traditional Name: N-[2-(trifluoromethyl)phenyl]thiocarbamic acid S-lauryl ester Formula: C20H30F3NOS MolecularWeight: 389.51851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=O)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCSC(=O)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C20H30F3NOS/c1-2-3-4-5-6-7-8-9-10-13-16-26-19(25)24-18-15-12-11-14-17(18)20(21,22)23/h11-12,14-15H,2-10,13,16H2,1H3,(H,24,25)