N-(2,6-dimethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylthio)-1-oxopropyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-(methylthio)propanoyl]piperazino]acetamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CCSC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CCSC

InChI

InChI=1S/C18H27N3O2S/c1-14-5-4-6-15(2)18(14)19-16(22)13-20-8-10-21(11-9-20)17(23)7-12-24-3/h4-6H,7-13H2,1-3H3,(H,19,22)