1-(4-ethylphenyl)-5-[(3-fluoranyl-4-piperidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethylphenyl)-5-[(3-fluoranyl-4-piperidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[[3-fluoro-4-(1-piperidyl)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[[3-fluoro-4-(1-piperidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-(3-fluoro-4-piperidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H24FN3O2S MolecularWeight: 437.529663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCCC4)F)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCCC4)F)C(=O)NC2=S

InChI

InChI=1S/C24H24FN3O2S/c1-2-16-6-9-18(10-7-16)28-23(30)19(22(29)26-24(28)31)14-17-8-11-21(20(25)15-17)27-12-4-3-5-13-27/h6-11,14-15H,2-5,12-13H2,1H3,(H,26,29,31)