2-fluoranyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-fluoranyl-N-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C25H26FN4OS+ MolecularWeight: 449.563543

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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)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H25FN4OS/c26-23-9-5-4-8-22(23)24(31)28-25(32)27-20-10-12-21(13-11-20)30-16-14-29(15-17-30)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H2,27,28,31,32)/p+1