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

Systemtic Name: 5-[(2-bromanyl-5-methoxy-4-propoxy-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-bromo-5-methoxy-4-propoxy-phenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-bromo-5-methoxy-4-propoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-bromo-5-methoxy-4-propoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-bromo-5-methoxy-4-propoxy-benzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H19BrN2O4S/c1-3-9-28-18-12-16(22)13(11-17(18)27-2)10-15-19(25)23-21(29)24(20(15)26)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3,(H,23,25,29)