2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[[3-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-2-yl]-N-[3-(methylthio)benzyl]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNC(=O)CC2C(=O)NCCN2CC3CCCCC3

Isomeric SMILES

CSC1=CC=CC(=C1)CNC(=O)C[C@@H]2C(=O)NCCN2CC3CCCCC3

InChI

InChI=1S/C21H31N3O2S/c1-27-18-9-5-8-17(12-18)14-23-20(25)13-19-21(26)22-10-11-24(19)15-16-6-3-2-4-7-16/h5,8-9,12,16,19H,2-4,6-7,10-11,13-15H2,1H3,(H,22,26)(H,23,25)/t19-/m1/s1