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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(3-pyridylmethyl)piperazino]ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

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