N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(4-fluorophenyl)-1-propyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-fluorophenyl)-1-propylimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[5-(4-fluorophenyl)-1-propyl-imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3S/c1-2-9-26-18(16-4-6-17(23)7-5-16)12-25-22(26)30-13-21(27)24-11-15-3-8-19-20(10-15)29-14-28-19/h3-8,10,12H,2,9,11,13-14H2,1H3,(H,24,27)