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

Systemtic Name: 5-[(4-morpholin-4-yl-3-nitro-phenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-morpholino-3-nitro-phenyl)methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(4-morpholinyl)-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-morpholino-3-nitro-benzylidene)-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H22N4O5S MolecularWeight: 514.55238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22N4O5S/c32-25-22(17-19-11-12-23(24(18-19)31(34)35)28-13-15-36-16-14-28)26(33)30(21-9-5-2-6-10-21)27(37)29(25)20-7-3-1-4-8-20/h1-12,17-18H,13-16H2