1,3-dimethyl-5-[2-phenoxyethylsulfanyl(phenylazanyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[2-phenoxyethylsulfanyl(phenylazanyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[anilino(2-phenoxyethylsulfanyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[anilino-(2-phenoxyethylthio)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[anilino(2-phenoxyethylsulfanyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[anilino-(2-phenoxyethylthio)methylene]-1,3-dimethyl-barbituric acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC2=CC=CC=C2)SCCOC3=CC=CC=C3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C(NC2=CC=CC=C2)SCCOC3=CC=CC=C3)C(=O)N(C1=O)C

InChI

InChI=1S/C21H21N3O4S/c1-23-19(25)17(20(26)24(2)21(23)27)18(22-15-9-5-3-6-10-15)29-14-13-28-16-11-7-4-8-12-16/h3-12,22H,13-14H2,1-2H3