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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C22H27ClN3O2S+ MolecularWeight: 432.98668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-27-20-16-19(21(28-2)15-18(20)23)24-22(29)26-13-11-25(12-14-26)10-6-9-17-7-4-3-5-8-17/h3-9,15-16H,10-14H2,1-2H3,(H,24,29)/p+1/b9-6+