1,3-bis(2-methylphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-bis(2-methylphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-morpholinophenyl)methylene]-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-bis(2-methylphenyl)-5-[[4-(4-morpholinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-bis(2-methylphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-morpholinobenzylidene)-1,3-bis(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)N4CCOCC4)C(=O)N(C2=S)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)N4CCOCC4)C(=O)N(C2=S)C5=CC=CC=C5C

InChI

InChI=1S/C29H27N3O3S/c1-20-7-3-5-9-25(20)31-27(33)24(28(34)32(29(31)36)26-10-6-4-8-21(26)2)19-22-11-13-23(14-12-22)30-15-17-35-18-16-30/h3-14,19H,15-18H2,1-2H3