(5E)-6-oxidanylidene-1-phenethyl-5-[[(4-piperidin-1-ium-1-ylphenyl)amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-6-oxidanylidene-1-phenethyl-5-[[(4-piperidin-1-ium-1-ylphenyl)amino]methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-6-oxo-1-phenethyl-5-[(4-piperidin-1-ium-1-ylanilino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-6-oxo-1-phenethyl-5-[[4-(1-piperidin-1-iumyl)anilino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-6-oxo-1-phenethyl-5-[(4-piperidin-1-ium-1-ylanilino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-1-phenethyl-5-[(4-piperidin-1-ium-1-ylanilino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=CC=C(C=C2)NC=C3C(=NC(=S)N(C3=O)CCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C2=CC=C(C=C2)N/C=C/3\C(=NC(=S)N(C3=O)CCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H26N4O2S/c29-22-21(17-25-19-9-11-20(12-10-19)27-14-5-2-6-15-27)23(30)28(24(31)26-22)16-13-18-7-3-1-4-8-18/h1,3-4,7-12,17,25H,2,5-6,13-16H2,(H,26,29,31)/b21-17+