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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-[(2-methyl-4-morpholin-4-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-[(2-methyl-4-morpholino-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromo-2-methylphenyl)-5-[[2-methyl-4-(4-morpholinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5-(2-methyl-4-morpholino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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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=C(C=C(C=C4)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O3S/c1-14-12-18(26-7-9-30-10-8-26)5-3-16(14)13-19-21(28)25-23(31)27(22(19)29)20-6-4-17(24)11-15(20)2/h3-6,11-13H,7-10H2,1-2H3,(H,25,28,31)