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

Systemtic Name: 5-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-4,5-diethoxy-phenyl)methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-4,5-diethoxy-benzylidene)-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H23BrN2O4S MolecularWeight: 551.45152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC

InChI

InChI=1S/C27H23BrN2O4S/c1-3-33-23-17-18(16-22(28)24(23)34-4-2)15-21-25(31)29(19-11-7-5-8-12-19)27(35)30(26(21)32)20-13-9-6-10-14-20/h5-17H,3-4H2,1-2H3