N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylfuran-2-carboxamide

Systemtic Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylfuran-2-carboxamide Openeye Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]-2-furamide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H21N3O2S/c23-18(17-9-5-15-24-17)20-19(25)22-13-11-21(12-14-22)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,20,23,25)/p+1/b8-4+