1-(1,3-benzodioxol-5-yl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-[(5-phenylsulfanyl-2-furyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-[[5-(phenylthio)-2-furyl]methylene]barbituric acid Formula: C22H14N2O6S MolecularWeight: 434.42136

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)SC5=CC=CC=C5)C(=O)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)SC5=CC=CC=C5)C(=O)NC3=O

InChI

InChI=1S/C22H14N2O6S/c25-20-16(11-14-7-9-19(30-14)31-15-4-2-1-3-5-15)21(26)24(22(27)23-20)13-6-8-17-18(10-13)29-12-28-17/h1-11H,12H2,(H,23,25,27)