2,6-bis(fluoranyl)-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-[4-[(E)-cinnamyl]piperazine-1-carbothioyl]-2,6-difluoro-benzamide CAS Name: 2,6-difluoro-N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-difluoro-N-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-[(E)-cinnamyl]piperazine-1-carbothioyl]-2,6-difluoro-benzamide Formula: C21H21F2N3OS MolecularWeight: 401.472746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C21H21F2N3OS/c22-17-9-4-10-18(23)19(17)20(27)24-21(28)26-14-12-25(13-15-26)11-5-8-16-6-2-1-3-7-16/h1-10H,11-15H2,(H,24,27,28)/b8-5+