4-[2-[[1,3-bis(oxidanylidene)inden-2-yl]methylideneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[[1,3-bis(oxidanylidene)inden-2-yl]methylideneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(1,3-dioxoindan-2-yl)methyleneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(1,3-dioxo-2-indenyl)methylideneamino]ethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(1,3-dioxoinden-2-yl)methylideneamino]ethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(1,3-diketoindan-2-yl)methyleneamino]ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN=CC2C(=O)C3=CC=CC=C3C2=O)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCN=CC2C(=O)C3=CC=CC=C3C2=O)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c28-21-18-8-4-5-9-19(18)22(29)20(21)16-24-10-11-26-12-14-27(15-13-26)23(30)25-17-6-2-1-3-7-17/h1-9,16,20H,10-15H2,(H,25,30)/p+1