N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C26H24ClFN4O2S MolecularWeight: 511.010763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

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