N-tert-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbothioamide

Systemtic Name: N-tert-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbothioamide Openeye Name: N-tert-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbothioamide CAS Name: N-tert-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]-1-azetidinecarbothioamide IUPAC Name: N-tert-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbothioamide Traditional Name: N-tert-butyl-3-[(4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbothioamide Formula: C22H24ClF3N2OS MolecularWeight: 456.95197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N1CC(C1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=S)N1CC(C1)OC(C2=CC=C(C=C2)Cl)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H24ClF3N2OS/c1-21(2,3)27-20(30)28-12-16(13-28)29-19(14-8-10-15(23)11-9-14)17-6-4-5-7-18(17)22(24,25)26/h4-11,16,19H,12-13H2,1-3H3,(H,27,30)