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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-N-(4-benzylpiperazin-4-ium-1-carbothioyl)-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-(4-benzylpiperazin-4-ium-1-carbothioyl)-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-(4-benzylpiperazin-4-ium-1-carbothioyl)-3-(4-fluorophenyl)acrylamide Formula: C21H23FN3OS+ MolecularWeight: 384.490223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=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)/p+1/b11-8+