2-(3-oxidanylidene-3-piperidin-1-yl-propyl)sulfanylnaphthalene-1,4-dione

Systemtic Name: 2-(3-oxidanylidene-3-piperidin-1-yl-propyl)sulfanylnaphthalene-1,4-dione Openeye Name: 2-[3-oxo-3-(1-piperidyl)propyl]sulfanylnaphthalene-1,4-dione CAS Name: 2-[[3-oxo-3-(1-piperidinyl)propyl]thio]naphthalene-1,4-dione IUPAC Name: 2-(3-oxo-3-piperidin-1-ylpropyl)sulfanylnaphthalene-1,4-dione Traditional Name: 2-[(3-keto-3-piperidino-propyl)thio]-1,4-naphthoquinone Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCSC2=CC(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCN(CC1)C(=O)CCSC2=CC(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H19NO3S/c20-15-12-16(18(22)14-7-3-2-6-13(14)15)23-11-8-17(21)19-9-4-1-5-10-19/h2-3,6-7,12H,1,4-5,8-11H2