N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-fluoranyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

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