N-(2,6-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(tetrahydrofuran-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-[2-(2-oxolanylmethylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(tetrahydrofurfurylthio)benzoyl]piperazino]acetamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC4CCCO4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC4CCCO4

InChI

InChI=1S/C26H33N3O3S/c1-19-7-5-8-20(2)25(19)27-24(30)17-28-12-14-29(15-13-28)26(31)22-10-3-4-11-23(22)33-18-21-9-6-16-32-21/h3-5,7-8,10-11,21H,6,9,12-18H2,1-2H3,(H,27,30)