4-[2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoyl]piperazine-1-carbaldehyde Openeye Name: 4-[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]piperazine-1-carbaldehyde CAS Name: 4-[2-[(3,5-dimethylphenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-[(3,5-dimethylbenzyl)thio]acetyl]piperazine-1-carbaldehyde Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)N2CCN(CC2)C=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)N2CCN(CC2)C=O)C

InChI

InChI=1S/C16H22N2O2S/c1-13-7-14(2)9-15(8-13)10-21-11-16(20)18-5-3-17(12-19)4-6-18/h7-9,12H,3-6,10-11H2,1-2H3