N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C20H23ClFN4OS+ MolecularWeight: 421.939223

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C20H22ClFN4OS/c1-2-25-9-11-26(12-10-25)18-8-7-14(13-16(18)21)23-20(28)24-19(27)15-5-3-4-6-17(15)22/h3-8,13H,2,9-12H2,1H3,(H2,23,24,27,28)/p+1