5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2-(4-chlorophenyl)sulfanylphenyl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2-[(4-chlorophenyl)thio]phenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-[(4-chlorophenyl)thio]benzylidene]-1-cyclohexyl-barbituric acid Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C(=O)NC2=O

InChI

InChI=1S/C23H21ClN2O3S/c24-16-10-12-18(13-11-16)30-20-9-5-4-6-15(20)14-19-21(27)25-23(29)26(22(19)28)17-7-2-1-3-8-17/h4-6,9-14,17H,1-3,7-8H2,(H,25,27,29)