5-[[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]phenyl]amino]methylidene]-1-cyclohexyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]phenyl]amino]methylidene]-1-cyclohexyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[4-(4-benzoylpiperazin-1-ium-1-yl)-3-chloro-anilino]methylene]-1-cyclohexyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[4-(4-benzoyl-1-piperazin-1-iumyl)-3-chloroanilino]methylidene]-1-cyclohexyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[4-(4-benzoylpiperazin-1-ium-1-yl)-3-chloroanilino]methylidene]-1-cyclohexyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[4-(4-benzoylpiperazin-1-ium-1-yl)-3-chloro-anilino]methylene]-1-cyclohexyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C28H30ClN5O3S MolecularWeight: 552.0875

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CNC3=CC(=C(C=C3)[NH+]4CCN(CC4)C(=O)C5=CC=CC=C5)Cl)C(=NC2=S)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CNC3=CC(=C(C=C3)[NH+]4CCN(CC4)C(=O)C5=CC=CC=C5)Cl)C(=NC2=S)[O-]

InChI

InChI=1S/C28H30ClN5O3S/c29-23-17-20(30-18-22-25(35)31-28(38)34(27(22)37)21-9-5-2-6-10-21)11-12-24(23)32-13-15-33(16-14-32)26(36)19-7-3-1-4-8-19/h1,3-4,7-8,11-12,17-18,21,30H,2,5-6,9-10,13-16H2,(H,31,35,38)