2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(4-pyridylmethyl)phenyl]cyclohexanecarboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-[4-(pyridin-4-ylmethyl)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-[4-(4-pyridylmethyl)phenyl]cyclohexanecarboxamide Formula: C26H27FN2OS MolecularWeight: 434.568783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2OS/c27-22-9-5-21(6-10-22)18-31-25-4-2-1-3-24(25)26(30)29-23-11-7-19(8-12-23)17-20-13-15-28-16-14-20/h5-16,24-25H,1-4,17-18H2,(H,29,30)