4-[2-(4-methoxyphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(3-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(4-methoxyphenoxy)ethyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O3S/c1-25-18-6-8-19(9-7-18)27-15-14-23-10-12-24(13-11-23)21(28)22-17-4-3-5-20(16-17)26-2/h3-9,16H,10-15H2,1-2H3,(H,22,28)/p+1