N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C26H28ClN4O2S+ MolecularWeight: 496.04412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H27ClN4O2S/c27-24-9-5-4-6-20(24)18-30-14-16-31(17-15-30)22-12-10-21(11-13-22)28-26(34)29-25(32)19-33-23-7-2-1-3-8-23/h1-13H,14-19H2,(H2,28,29,32,34)/p+1