2,2,4,4-tetramethyl-3-[4-(4-methyl-2-sulfanyl-phenyl)piperazin-1-yl]cyclobutan-1-one

Systemtic Name: 2,2,4,4-tetramethyl-3-[4-(4-methyl-2-sulfanyl-phenyl)piperazin-1-yl]cyclobutan-1-one Openeye Name: 2,2,4,4-tetramethyl-3-[4-(4-methyl-2-sulfanyl-phenyl)piperazin-1-yl]cyclobutanone CAS Name: 3-[4-(2-mercapto-4-methylphenyl)-1-piperazinyl]-2,2,4,4-tetramethyl-1-cyclobutanone IUPAC Name: 2,2,4,4-tetramethyl-3-[4-(4-methyl-2-sulfanylphenyl)piperazin-1-yl]cyclobutan-1-one Traditional Name: 3-[4-(2-mercapto-4-methyl-phenyl)piperazino]-2,2,4,4-tetramethyl-cyclobutanone Formula: C19H28N2OS MolecularWeight: 332.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C3C(C(=O)C3(C)C)(C)C)S

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C3C(C(=O)C3(C)C)(C)C)S

InChI

InChI=1S/C19H28N2OS/c1-13-6-7-14(15(23)12-13)20-8-10-21(11-9-20)16-18(2,3)17(22)19(16,4)5/h6-7,12,16,23H,8-11H2,1-5H3