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

Systemtic Name: 4-fluoranyl-N-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-cinnamylpiperazine-1-carbothioyl)-4-fluoro-benzamide CAS Name: 4-fluoro-N-[[4-(3-phenylprop-2-enyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-[4-(3-phenylprop-2-enyl)piperazine-1-carbothioyl]benzamide Traditional Name: N-(4-cinnamylpiperazine-1-carbothioyl)-4-fluoro-benzamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c22-19-10-8-18(9-11-19)20(26)23-21(27)25-15-13-24(14-16-25)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,23,26,27)