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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=CN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3S/c1-2-3-10-26-18(15-4-6-16(23)7-5-15)12-24-22(26)30-13-21(27)25-17-8-9-19-20(11-17)29-14-28-19/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,25,27)