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

Systemtic Name: 1-(4-bromophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-[4-(diethylamino)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-3-24(4-2)16-9-5-14(6-10-16)13-18-19(26)23-21(28)25(20(18)27)17-11-7-15(22)8-12-17/h5-13H,3-4H2,1-2H3,(H,23,26,28)