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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-pyridyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridyl]-(4-phenylpiperazino)methanone Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H23N3O3S/c28-24(27-13-11-26(12-14-27)18-5-2-1-3-6-18)20-7-4-10-25-23(20)31-19-8-9-21-22(17-19)30-16-15-29-21/h1-10,17H,11-16H2