2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioylphenoxy]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioylphenoxy]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Traditional Name: N-benzyl-2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-24-12-14-25(15-13-24)22(28)19-8-10-20(11-9-19)27-17-21(26)23-16-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,26)/p+1