2-[4-[(2,4-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(2,4-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-[(2,4-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-[(2,4-dichloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-[(2,4-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-[(2,4-dichlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C20H23Cl2N4O2S+ MolecularWeight: 454.39322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N4O2S/c1-28-16-5-3-15(4-6-16)23-19(27)13-25-8-10-26(11-9-25)20(29)24-18-7-2-14(21)12-17(18)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)(H,24,29)/p+1