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

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-21-20(27)23-11-8-22(9-12-23)10-13-24-18(25)15-6-2-4-14-5-3-7-16(17(14)15)19(24)26/h2-7H,8-13H2,1H3,(H,21,27)/p+1