4-bromanyl-N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C25H21BrClFN4O2S MolecularWeight: 575.880243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrClFN4O2S/c26-17-7-5-16(6-8-17)23(33)30-25(35)29-21-15-18(27)9-10-22(21)31-11-13-32(14-12-31)24(34)19-3-1-2-4-20(19)28/h1-10,15H,11-14H2,(H2,29,30,33,35)