2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-tert-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-tert-butyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-tert-butylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-[[5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetamide Formula: C24H25N3O4S MolecularWeight: 451.538

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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=C2SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC(=O)NC(C)(C)C

InChI

InChI=1S/C24H25N3O4S/c1-15-5-8-17(9-6-15)27-22(29)18(11-16-7-10-19-20(12-16)31-14-30-19)25-23(27)32-13-21(28)26-24(2,3)4/h5-12H,13-14H2,1-4H3,(H,26,28)