1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinoyl]piperazino]ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O4S/c1-14(24)22-7-9-23(10-8-22)20(25)16-3-2-6-21-19(16)28-15-4-5-17-18(13-15)27-12-11-26-17/h2-6,13H,7-12H2,1H3