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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C22H24ClFN4O2S MolecularWeight: 462.967963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClFN4O2S/c1-14(2)21(30)28-11-9-27(10-12-28)19-8-7-15(13-17(19)23)25-22(31)26-20(29)16-5-3-4-6-18(16)24/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,29,31)