2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: 2-[[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-2-phenylacetamide IUPAC Name: 2-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-2-phenylacetamide Traditional Name: 2-[[(4E)-5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]-2-phenyl-acetamide Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SC(C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SC(C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C26H21N3O4S/c1-16-7-10-19(11-8-16)29-25(31)20(13-17-9-12-21-22(14-17)33-15-32-21)28-26(29)34-23(24(27)30)18-5-3-2-4-6-18/h2-14,23H,15H2,1H3,(H2,27,30)/b20-13+