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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: N-isoamyl-2-[[5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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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)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-16(2)10-11-26-23(29)14-33-25-27-20(12-18-6-9-21-22(13-18)32-15-31-21)24(30)28(25)19-7-4-17(3)5-8-19/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,26,29)