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

Systemtic Name: 3-bromanyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H22BrFN4O2S MolecularWeight: 541.435183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrFN4O2S/c26-18-5-3-4-17(16-18)23(32)29-25(34)28-19-8-10-20(11-9-19)30-12-14-31(15-13-30)24(33)21-6-1-2-7-22(21)27/h1-11,16H,12-15H2,(H2,28,29,32,34)