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

Systemtic Name: 3,4-dimethoxy-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]-3,4-dimethoxy-benzamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C23H27N3O3S/c1-28-20-11-10-19(17-21(20)29-2)22(27)24-23(30)26-15-13-25(14-16-26)12-6-9-18-7-4-3-5-8-18/h3-11,17H,12-16H2,1-2H3,(H,24,27,30)/p+1/b9-6+