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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[3-(p-tolylsulfanyl)propanoyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[3-[(4-methylphenyl)thio]-1-oxopropyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[3-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[3-(p-tolylthio)propanoyl]piperazino]acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C24H31N3O2S/c1-18-7-9-21(10-8-18)30-16-11-23(29)27-14-12-26(13-15-27)17-22(28)25-24-19(2)5-4-6-20(24)3/h4-10H,11-17H2,1-3H3,(H,25,28)