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

Systemtic Name: 5-[[3-bromanyl-4-(dimethylamino)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-bromo-4-(dimethylamino)phenyl]methylene]-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-bromo-4-(dimethylamino)benzylidene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)Br)C(=O)NC2=S

InChI

InChI=1S/C21H20BrN3O3S/c1-4-28-15-8-6-14(7-9-15)25-20(27)16(19(26)23-21(25)29)11-13-5-10-18(24(2)3)17(22)12-13/h5-12H,4H2,1-3H3,(H,23,26,29)