2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioyl-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioyl-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)-2-methoxy-phenoxy]acetamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)N)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC(=O)N)OC

InChI

InChI=1S/C16H23N3O3S/c1-3-18-6-8-19(9-7-18)16(23)12-4-5-13(14(10-12)21-2)22-11-15(17)20/h4-5,10H,3,6-9,11H2,1-2H3,(H2,17,20)/p+1