4-chloranyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H22ClFN4O2S MolecularWeight: 496.984183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4F

InChI

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