1-cyclohexyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cyclohexyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[5-(p-tolylsulfanyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[5-[(4-methylphenyl)thio]-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[[5-(p-tolylthio)-2-furyl]methylene]barbituric acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H22N2O4S/c1-14-7-10-17(11-8-14)29-19-12-9-16(28-19)13-18-20(25)23-22(27)24(21(18)26)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,23,25,27)