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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H24ClFN4O2S MolecularWeight: 462.967963

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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=CC=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClFN4O2S/c1-2-3-20(29)28-12-10-27(11-13-28)19-9-8-17(14-18(19)23)25-22(31)26-21(30)15-4-6-16(24)7-5-15/h4-9,14H,2-3,10-13H2,1H3,(H2,25,26,30,31)