4-[2-(4-methoxyphenoxy)ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-27-18-6-8-19(9-7-18)28-15-14-22-10-12-23(13-11-22)20(29)21-16-2-4-17(5-3-16)24(25)26/h2-9H,10-15H2,1H3,(H,21,29)/p+1