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

Systemtic Name: 5-[(4-octoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-octoxyphenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-octoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-octoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-octoxybenzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H28N2O3S MolecularWeight: 436.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-2-3-4-5-6-10-17-30-21-15-13-19(14-16-21)18-22-23(28)26-25(31)27(24(22)29)20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17H2,1H3,(H,26,28,31)