4-[(2,4-dichlorophenyl)methyl]-N-(4-ethanoylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-(4-ethanoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[(2,4-dichlorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(2,4-dichlorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C20H22Cl2N3OS+ MolecularWeight: 423.37918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3OS/c1-14(26)15-3-6-18(7-4-15)23-20(27)25-10-8-24(9-11-25)13-16-2-5-17(21)12-19(16)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)/p+1