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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C22H25FN4O2S MolecularWeight: 428.522903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN4O2S/c1-2-5-20(28)27-14-12-26(13-15-27)17-10-8-16(9-11-17)24-22(30)25-21(29)18-6-3-4-7-19(18)23/h3-4,6-11H,2,5,12-15H2,1H3,(H2,24,25,29,30)