3-[(2,6-dimethylphenoxy)methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[(2,6-dimethylphenoxy)methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(2,6-dimethylphenoxy)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(2,6-dimethylphenoxy)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(2,6-dimethylphenoxy)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(2,6-dimethylphenoxy)methyl]-4-fluoro-thiobenzamide Formula: C16H16FNOS MolecularWeight: 289.367743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C16H16FNOS/c1-10-4-3-5-11(2)15(10)19-9-13-8-12(16(18)20)6-7-14(13)17/h3-8H,9H2,1-2H3,(H2,18,20)