2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-(phenylthio)nicotinoyl]piperazino]methanone Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c29-24(19-9-6-12-26-23(19)33-18-7-2-1-3-8-18)27-13-15-28(16-14-27)25(30)22-17-31-20-10-4-5-11-21(20)32-22/h1-12,22H,13-17H2