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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(2-methylsulfanylethanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[2-(methylthio)-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[2-(methylthio)acetyl]piperazino]acetamide Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-13-5-4-6-15(14(13)2)18-16(21)11-19-7-9-20(10-8-19)17(22)12-23-3/h4-6H,7-12H2,1-3H3,(H,18,21)