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

Systemtic Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioylpyridine-3-carboxamide Openeye Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]pyridine-3-carboxamide CAS Name: N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]pyridine-3-carboxamide Traditional Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]nicotinamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c25-19(18-9-4-10-21-16-18)22-20(26)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25,26)/p+1/b8-5+