5-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)C(=O)NC2=S

InChI

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