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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(3-bromo-5-ethoxy-4-hydroxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O4S/c1-3-5-19-15(22)10(14(21)18-16(19)24)6-9-7-11(17)13(20)12(8-9)23-4-2/h3,6-8,20H,1,4-5H2,2H3,(H,18,21,24)