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

Systemtic Name: 2-chloranyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C25H21ClFIN4O2S MolecularWeight: 622.880713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClFIN4O2S/c26-21-10-5-16(28)15-20(21)23(33)30-25(35)29-17-6-8-18(9-7-17)31-11-13-32(14-12-31)24(34)19-3-1-2-4-22(19)27/h1-10,15H,11-14H2,(H2,29,30,33,35)