(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(quinolin-8-ylmethylsulfanyl)imidazol-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(quinolin-8-ylmethylsulfanyl)imidazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-3-(p-tolyl)-2-(8-quinolylmethylsulfanyl)imidazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(8-quinolinylmethylthio)-4-imidazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(quinolin-8-ylmethylsulfanyl)imidazol-4-one Traditional Name: (5E)-5-piperonylidene-3-(p-tolyl)-2-(8-quinolylmethylthio)-2-imidazolin-4-one Formula: C28H21N3O3S MolecularWeight: 479.54964

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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=C2SCC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C28H21N3O3S/c1-18-7-10-22(11-8-18)31-27(32)23(14-19-9-12-24-25(15-19)34-17-33-24)30-28(31)35-16-21-5-2-4-20-6-3-13-29-26(20)21/h2-15H,16-17H2,1H3/b23-14+