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

Systemtic Name: 2-[1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazinyl]-N-[[3-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-(3-keto-1-o-veratryl-piperazin-2-yl)-N-[3-(methylthio)benzyl]acetamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCNC(=O)C2CC(=O)NCC3=CC(=CC=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCNC(=O)C2CC(=O)NCC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H29N3O4S/c1-29-20-9-5-7-17(22(20)30-2)15-26-11-10-24-23(28)19(26)13-21(27)25-14-16-6-4-8-18(12-16)31-3/h4-9,12,19H,10-11,13-15H2,1-3H3,(H,24,28)(H,25,27)