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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-4-cyano-2-fluoro-benzamide Formula: C23H23ClFN5O2S MolecularWeight: 487.977423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN5O2S/c1-2-3-21(31)30-10-8-29(9-11-30)20-7-5-16(13-18(20)24)27-23(33)28-22(32)17-6-4-15(14-26)12-19(17)25/h4-7,12-13H,2-3,8-11H2,1H3,(H2,27,28,32,33)