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

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)carbothioylphenoxy]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-carbothioyl)phenoxy]-N-(4-methoxyphenyl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-3-24-12-14-25(15-13-24)22(29)17-4-8-20(9-5-17)28-16-21(26)23-18-6-10-19(27-2)11-7-18/h4-11H,3,12-16H2,1-2H3,(H,23,26)/p+1