1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]-2-(2-pyridylthio)ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=N2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=N2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O4S/c24-19(14-28-18-7-3-4-8-21-18)22-9-11-23(12-10-22)20(25)17-13-26-15-5-1-2-6-16(15)27-17/h1-8,17H,9-14H2/t17-/m1/s1