5-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-[2-(4-hexylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C25H28N2O4S/c1-2-3-4-5-6-18-7-11-20(12-8-18)30-15-16-31-21-13-9-19(10-14-21)17-22-23(28)26-25(32)27-24(22)29/h7-14,17H,2-6,15-16H2,1H3,(H2,26,27,28,29,32)