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

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-2-fluoro-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-cyano-2-fluoro-benzamide Formula: C23H24FN5O2S MolecularWeight: 453.532363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN5O2S/c1-2-3-21(30)29-12-10-28(11-13-29)18-7-5-17(6-8-18)26-23(32)27-22(31)19-9-4-16(15-25)14-20(19)24/h4-9,14H,2-3,10-13H2,1H3,(H2,26,27,31,32)