N-(2,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]propanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]propanamide CAS Name: N-(2,5-dimethylphenyl)-2-[(3-fluorophenyl)methylthio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]propanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(3-fluorobenzyl)thio]propionamide Formula: C18H20FNOS MolecularWeight: 317.420903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SCC2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SCC2=CC(=CC=C2)F

InChI

InChI=1S/C18H20FNOS/c1-12-7-8-13(2)17(9-12)20-18(21)14(3)22-11-15-5-4-6-16(19)10-15/h4-10,14H,11H2,1-3H3,(H,20,21)