4-cyano-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-4-cyano-2-fluoro-benzamide Formula: C21H20FN5O2S MolecularWeight: 425.479203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H20FN5O2S/c1-14(28)26-8-10-27(11-9-26)17-5-3-16(4-6-17)24-21(30)25-20(29)18-7-2-15(13-23)12-19(18)22/h2-7,12H,8-11H2,1H3,(H2,24,25,29,30)