4-[(2,5-dimethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-(4-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)NC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O3S/c1-25-18-6-4-17(5-7-18)22-21(28)24-12-10-23(11-13-24)15-16-14-19(26-2)8-9-20(16)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,28)/p+1