N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]-piperonylamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O3S/c26-21(18-8-9-19-20(15-18)28-16-27-19)23-22(29)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,23,26,29)/p+1/b7-4+