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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(1,3-benzodioxol-5-ylmethylene)-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxo-2-imidazolyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-methylphenyl)-5-oxoimidazol-2-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[5-keto-4-piperonylidene-1-(p-tolyl)-2-imidazolin-2-yl]thio]acetamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-3-10-24-21(27)13-31-23-25-18(11-16-6-9-19-20(12-16)30-14-29-19)22(28)26(23)17-7-4-15(2)5-8-17/h3-9,11-12H,1,10,13-14H2,2H3,(H,24,27)