3-(4-fluorophenyl)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: 3-(4-fluorophenyl)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(4-fluorophenyl)prop-2-enamide CAS Name: 3-(4-fluorophenyl)-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(4-fluorophenyl)prop-2-enamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(4-fluorophenyl)acrylamide Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

InChI

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