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

Systemtic Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyladamantane-1-carboxamide Openeye Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]adamantane-1-carboxamide Traditional Name: N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]adamantane-1-carboxamide Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3OS/c29-23(25-16-20-13-21(17-25)15-22(14-20)18-25)26-24(30)28-11-9-27(10-12-28)8-4-7-19-5-2-1-3-6-19/h1-7,20-22H,8-18H2,(H,26,29,30)/p+1/b7-4+