N-(4-phenylazanylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-phenylazanylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C26H29N4S+ MolecularWeight: 429.60026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C26H28N4S/c31-26(28-25-15-13-24(14-16-25)27-23-11-5-2-6-12-23)30-20-18-29(19-21-30)17-7-10-22-8-3-1-4-9-22/h1-16,27H,17-21H2,(H,28,31)/p+1/b10-7+