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

Systemtic Name: 1-(4-bromophenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[(4-morpholinophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[[4-(4-morpholinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-(4-morpholinobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3S/c22-15-3-7-17(8-4-15)25-20(27)18(19(26)23-21(25)29)13-14-1-5-16(6-2-14)24-9-11-28-12-10-24/h1-8,13H,9-12H2,(H,23,26,29)