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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-butyl-5-(4-fluorophenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[1-butyl-5-(4-fluorophenyl)imidazol-2-yl]thio]-N-piperonyl-acetamide Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=CN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O3S/c1-2-3-10-27-19(17-5-7-18(24)8-6-17)13-26-23(27)31-14-22(28)25-12-16-4-9-20-21(11-16)30-15-29-20/h4-9,11,13H,2-3,10,12,14-15H2,1H3,(H,25,28)