4-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carbothioamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-16-11-17(2)13-19(12-16)23-22(28)25-9-7-24(8-10-25)15-18-14-20(26-3)5-6-21(18)27-4/h5-6,11-14H,7-10,15H2,1-4H3,(H,23,28)/p+1