2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2,5-dimethoxybenzyl)piperazino]-N-[3-(methylthio)phenyl]acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H29N3O3S/c1-27-19-7-8-21(28-2)17(13-19)15-24-9-11-25(12-10-24)16-22(26)23-18-5-4-6-20(14-18)29-3/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)