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

Systemtic Name: N-[[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C26H24ClFN4O2S MolecularWeight: 511.010763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H24ClFN4O2S/c1-17-6-8-18(9-7-17)24(33)30-26(35)29-22-16-19(27)10-11-23(22)31-12-14-32(15-13-31)25(34)20-4-2-3-5-21(20)28/h2-11,16H,12-15H2,1H3,(H2,29,30,33,35)