2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide hydrochloride

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide hydrochloride Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide hydrochloride CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide hydrochloride IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide hydrochloride Traditional Name: N-[3-(methylthio)phenyl]-2-(4-veratroylpiperazino)acetamide hydrochloride Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC)OC.Cl

InChI

InChI=1S/C22H27N3O4S.ClH/c1-28-19-8-7-16(13-20(19)29-2)22(27)25-11-9-24(10-12-25)15-21(26)23-17-5-4-6-18(14-17)30-3;/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,26);1H