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

Systemtic Name: N-[[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[4-(4-benzoyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[4-(4-benzoylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C25H22ClFN4O2S MolecularWeight: 496.984183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3F)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClFN4O2S/c26-20-16-18(28-25(34)29-23(32)19-8-4-5-9-21(19)27)10-11-22(20)30-12-14-31(15-13-30)24(33)17-6-2-1-3-7-17/h1-11,16H,12-15H2,(H2,28,29,32,34)