2-(4-chlorophenyl)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioyl-ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbothioyl-ethanamide Openeye Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-2-(4-chlorophenyl)acetamide CAS Name: 2-(4-chlorophenyl)-N-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]acetamide IUPAC Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-2-(4-chlorophenyl)acetamide Traditional Name: N-(4-benzhydrylpiperazin-4-ium-1-carbothioyl)-2-(4-chlorophenyl)acetamide Formula: C26H27ClN3OS+ MolecularWeight: 465.03008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3OS/c27-23-13-11-20(12-14-23)19-24(31)28-26(32)30-17-15-29(16-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-19H2,(H,28,31,32)/p+1