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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4E)-1-(4-fluorophenyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[(4E)-1-(4-fluorophenyl)-5-oxo-4-(phenylmethylene)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4E)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[[(4E)-4-benzal-1-(4-fluorophenyl)-5-keto-2-imidazolin-2-yl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C25H18FN3O4S MolecularWeight: 475.491523

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=CC4=CC=CC=C4)C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=N/C(=C/C4=CC=CC=C4)/C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C25H18FN3O4S/c26-17-6-9-19(10-7-17)29-24(31)20(12-16-4-2-1-3-5-16)28-25(29)34-14-23(30)27-18-8-11-21-22(13-18)33-15-32-21/h1-13H,14-15H2,(H,27,30)/b20-12+