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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

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