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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C20H22ClFN4OS MolecularWeight: 420.931283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

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