1-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)-1-piperazinyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[4-(4-nitrophenyl)piperazino]methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C23H23N5O5S/c1-2-33-19-9-7-17(8-10-19)27-22(30)20(21(29)24-23(27)34)15-25-11-13-26(14-12-25)16-3-5-18(6-4-16)28(31)32/h3-10,15H,2,11-14H2,1H3,(H,24,29,34)