(5Z)-1-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-pyrazolidin-3-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-pyrazolidin-3-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-butyl-5-[5-(4-ethoxyphenyl)-1-propanoyl-pyrazolidin-3-ylidene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-butyl-5-[5-(4-ethoxyphenyl)-1-(1-oxopropyl)-3-pyrazolidinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-butyl-5-[5-(4-ethoxyphenyl)-1-propanoylpyrazolidin-3-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-butyl-5-(5-p-phenetyl-1-propionyl-pyrazolidin-3-ylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C2CC(N(N2)C(=O)CC)C3=CC=C(C=C3)OCC)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C\2/CC(N(N2)C(=O)CC)C3=CC=C(C=C3)OCC)/C(=O)NC1=S

InChI

InChI=1S/C22H28N4O4S/c1-4-7-12-25-21(29)19(20(28)23-22(25)31)16-13-17(26(24-16)18(27)5-2)14-8-10-15(11-9-14)30-6-3/h8-11,17,24H,4-7,12-13H2,1-3H3,(H,23,28,31)/b19-16-