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

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-prop-2-enyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-allyl-4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-prop-2-enyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-prop-2-enylpiperazin-4-ium-1-carbothioamide Traditional Name: N-allyl-4-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C=CCNC(=S)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H24N4O2S/c1-2-9-23-22(29)25-13-10-24(11-14-25)12-15-26-20(27)17-7-3-5-16-6-4-8-18(19(16)17)21(26)28/h2-8H,1,9-15H2,(H,23,29)/p+1