4-[(E)-3-phenylprop-2-enyl]-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(E)-3-phenylprop-2-enyl]-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(E)-3-phenylprop-2-enyl]-N-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-27-20-16-19(17-21(28-2)22(20)29-3)24-23(30)26-14-12-25(13-15-26)11-7-10-18-8-5-4-6-9-18/h4-10,16-17H,11-15H2,1-3H3,(H,24,30)/p+1/b10-7+