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

Systemtic Name: 4-chloranyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: 4-chloro-N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]benzamide CAS Name: 4-chloro-N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: 4-chloro-N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]benzamide Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3OS/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)/p+1/b7-4+