5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl-phenylazanyl-methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl-phenylazanyl-methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[anilino-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[anilino-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[anilino-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[anilino-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]methylene]-1,3-dimethyl-barbituric acid Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC2=CC=CC=C2)SCC3=CC4=C(C=C3Cl)OCO4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C(NC2=CC=CC=C2)SCC3=CC4=C(C=C3Cl)OCO4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H18ClN3O5S/c1-24-19(26)17(20(27)25(2)21(24)28)18(23-13-6-4-3-5-7-13)31-10-12-8-15-16(9-14(12)22)30-11-29-15/h3-9,23H,10-11H2,1-2H3