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

Systemtic Name: 5-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-4-butoxy-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-4-butoxy-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=S)NC2=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C=C2C(=O)NC(=S)NC2=O)OC

InChI

InChI=1S/C16H17BrN2O4S/c1-3-4-5-23-13-11(17)7-9(8-12(13)22-2)6-10-14(20)18-16(24)19-15(10)21/h6-8H,3-5H2,1-2H3,(H2,18,19,20,21,24)