1-(4-methylsulfanylphenyl)-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]-4-[4-(phenylmethyl)-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2S/c1-28-21-10-8-20(9-11-21)22(26)12-13-23(27)25-15-5-14-24(16-17-25)18-19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3