(4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(methylthio)phenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[4-(methylthio)benzylidene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO4S/c1-31-18-9-6-16(7-10-18)12-21-19-4-2-3-5-20(19)24(27)26(25(21)28)14-17-8-11-22-23(13-17)30-15-29-22/h2-13H,14-15H2,1H3/b21-12+