4-fluoranyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-fluoro-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-fluoro-N-[[4-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-fluoro-N-[[4-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H25FN4O2S MolecularWeight: 488.576403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H25FN4O2S/c28-22-9-7-21(8-10-22)26(34)30-27(35)29-23-11-13-24(14-12-23)31-16-18-32(19-17-31)25(33)15-6-20-4-2-1-3-5-20/h1-15H,16-19H2,(H2,29,30,34,35)/b15-6+