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

Systemtic Name: 5-[(2-bromanyl-4,5-diethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(2-bromo-4,5-diethoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-bromo-4,5-diethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-bromo-4,5-diethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(2-bromo-4,5-diethoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19BrN2O4S MolecularWeight: 439.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O4S/c1-4-7-21-17(23)12(16(22)20-18(21)26)8-11-9-14(24-5-2)15(25-6-3)10-13(11)19/h4,8-10H,1,5-7H2,2-3H3,(H,20,22,26)