1-(4-cyclohexylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-(4-cyclohexylpiperazino)-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C21H30N2O2S/c1-26-19-9-7-17(8-10-19)20(24)11-12-21(25)23-15-13-22(14-16-23)18-5-3-2-4-6-18/h7-10,18H,2-6,11-16H2,1H3