3-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-4-fluoranyl-benzenecarbothioamide

Systemtic Name: 3-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-4-fluoranyl-benzenecarbothioamide Openeye Name: 3-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-4-fluoro-benzenecarbothioamide CAS Name: 3-[(4-chloro-2,6-dimethylphenoxy)methyl]-4-fluorobenzenecarbothioamide IUPAC Name: 3-[(4-chloro-2,6-dimethylphenoxy)methyl]-4-fluorobenzenecarbothioamide Traditional Name: 3-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-4-fluoro-thiobenzamide Formula: C16H15ClFNOS MolecularWeight: 323.812803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C(=S)N)F)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C(=S)N)F)C)Cl

InChI

InChI=1S/C16H15ClFNOS/c1-9-5-13(17)6-10(2)15(9)20-8-12-7-11(16(19)21)3-4-14(12)18/h3-7H,8H2,1-2H3,(H2,19,21)