(5E)-1-(4-ethoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-ethoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-ethoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-ethoxyphenyl)-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-ethoxyphenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-p-phenetyl-5-(4-pyrrolidinobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCC4)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)N4CCCC4)/C(=O)NC2=S

InChI

InChI=1S/C23H23N3O3S/c1-2-29-19-11-9-18(10-12-19)26-22(28)20(21(27)24-23(26)30)15-16-5-7-17(8-6-16)25-13-3-4-14-25/h5-12,15H,2-4,13-14H2,1H3,(H,24,27,30)/b20-15+