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

Systemtic Name: 4-ethyl-N-[[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[4-[4-(2-fluorobenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H27FN4O2S MolecularWeight: 490.592283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H27FN4O2S/c1-2-19-7-9-20(10-8-19)25(33)30-27(35)29-21-11-13-22(14-12-21)31-15-17-32(18-16-31)26(34)23-5-3-4-6-24(23)28/h3-14H,2,15-18H2,1H3,(H2,29,30,33,35)