1-(4-chlorophenyl)-5-[(2-methyl-4-morpholin-4-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-chlorophenyl)-5-[(2-methyl-4-morpholin-4-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-chlorophenyl)-5-[(2-methyl-4-morpholino-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-chlorophenyl)-5-[[2-methyl-4-(4-morpholinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-chlorophenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-chlorophenyl)-5-(2-methyl-4-morpholino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-14-12-18(25-8-10-29-11-9-25)5-2-15(14)13-19-20(27)24-22(30)26(21(19)28)17-6-3-16(23)4-7-17/h2-7,12-13H,8-11H2,1H3,(H,24,27,30)