1-(4-methylsulfanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-methylsulfanylphenyl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione CAS Name: 1-[4-(methylthio)phenyl]-4-(3-oxo-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(4-methylsulfanylphenyl)-4-(3-oxopiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3-ketopiperazino)-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCNC(=O)C2

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)N2CCNC(=O)C2

InChI

InChI=1S/C15H18N2O3S/c1-21-12-4-2-11(3-5-12)13(18)6-7-15(20)17-9-8-16-14(19)10-17/h2-5H,6-10H2,1H3,(H,16,19)