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

Systemtic Name: 4-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-2-22-21(28)24-12-9-23(10-13-24)11-14-25-19(26)16-7-3-5-15-6-4-8-17(18(15)16)20(25)27/h3-8H,2,9-14H2,1H3,(H,22,28)/p+1