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

Systemtic Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidino]-2-(2-pyridylthio)ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=CC=N2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=CC=N2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O3S/c24-20(14-27-19-5-1-2-8-21-19)23-9-3-4-16(13-23)22-15-6-7-17-18(12-15)26-11-10-25-17/h1-2,5-8,12,16,22H,3-4,9-11,13-14H2