4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C25H25N4O2S+ MolecularWeight: 445.5566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-23-20-10-4-6-18-7-5-11-21(22(18)20)24(31)29(23)17-14-27-12-15-28(16-13-27)25(32)26-19-8-2-1-3-9-19/h1-11H,12-17H2,(H,26,32)/p+1