5-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-phenylazanyl-methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-phenylazanyl-methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[anilino-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[anilino-[[2-(1-azepanyl)-2-oxoethyl]thio]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[anilino-[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[anilino-[[2-(azepan-1-yl)-2-keto-ethyl]thio]methylene]-1,3-dimethyl-barbituric acid Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC2=CC=CC=C2)SCC(=O)N3CCCCCC3)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C(NC2=CC=CC=C2)SCC(=O)N3CCCCCC3)C(=O)N(C1=O)C

InChI

InChI=1S/C21H26N4O4S/c1-23-19(27)17(20(28)24(2)21(23)29)18(22-15-10-6-5-7-11-15)30-14-16(26)25-12-8-3-4-9-13-25/h5-7,10-11,22H,3-4,8-9,12-14H2,1-2H3