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

Systemtic Name: 1,3-diethyl-5-[(4-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[(4-octoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[(4-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[(4-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-(4-octoxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3S/c1-4-7-8-9-10-11-16-28-19-14-12-18(13-15-19)17-20-21(26)24(5-2)23(29)25(6-3)22(20)27/h12-15,17H,4-11,16H2,1-3H3