5-[[2-bromanyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[2-bromanyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[2-bromo-5-ethoxy-4-(3-nitrobenzyl)oxy-benzylidene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20BrN3O6S MolecularWeight: 534.3797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20BrN3O6S/c1-4-31-18-10-14(9-16-20(27)24(2)22(33)25(3)21(16)28)17(23)11-19(18)32-12-13-6-5-7-15(8-13)26(29)30/h5-11H,4,12H2,1-3H3