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

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(3,4-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C22H28N3S+ MolecularWeight: 366.54282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3S/c1-18-10-11-21(17-19(18)2)23-22(26)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-11,17H,12-16H2,1-2H3,(H,23,26)/p+1/b9-6+