3,3-dimethyl-4-[[2-(2-oxidanyl-3-thiomorpholin-4-yl-propoxy)phenyl]methyl]piperazin-2-one

Systemtic Name: 3,3-dimethyl-4-[[2-(2-oxidanyl-3-thiomorpholin-4-yl-propoxy)phenyl]methyl]piperazin-2-one Openeye Name: 4-[[2-(2-hydroxy-3-thiomorpholino-propoxy)phenyl]methyl]-3,3-dimethyl-piperazin-2-one CAS Name: 4-[[2-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]methyl]-3,3-dimethyl-2-piperazinone IUPAC Name: 4-[[2-(2-hydroxy-3-thiomorpholin-4-ylpropoxy)phenyl]methyl]-3,3-dimethylpiperazin-2-one Traditional Name: 4-[2-(2-hydroxy-3-thiomorpholino-propoxy)benzyl]-3,3-dimethyl-piperazin-2-one Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1CC2=CC=CC=C2OCC(CN3CCSCC3)O)C

Isomeric SMILES

CC1(C(=O)NCCN1CC2=CC=CC=C2OCC(CN3CCSCC3)O)C

InChI

InChI=1S/C20H31N3O3S/c1-20(2)19(25)21-7-8-23(20)13-16-5-3-4-6-18(16)26-15-17(24)14-22-9-11-27-12-10-22/h3-6,17,24H,7-15H2,1-2H3,(H,21,25)