N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylphenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylphenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(o-tolylsulfanyl)acetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(2-methylphenyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(o-tolylthio)acetyl]piperazino]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O2S/c1-17-7-4-5-10-20(17)29-16-22(28)26-13-11-25(12-14-26)15-21(27)24-23-18(2)8-6-9-19(23)3/h4-10H,11-16H2,1-3H3,(H,24,27)