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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-ethyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-ethyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-ethyl-5-(4-fluorophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-ethyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-ethyl-5-(4-fluorophenyl)imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O3S/c1-2-25-17(15-4-6-16(22)7-5-15)11-24-21(25)29-12-20(26)23-10-14-3-8-18-19(9-14)28-13-27-18/h3-9,11H,2,10,12-13H2,1H3,(H,23,26)