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

Systemtic Name: 2-phenoxy-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: 2-phenoxy-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c31-25(20-32-24-9-5-2-6-10-24)28-26(33)27-22-11-13-23(14-12-22)30-17-15-29(16-18-30)19-21-7-3-1-4-8-21/h1-14H,15-20H2,(H2,27,28,31,33)/p+1