1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]propan-1-one Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2)SCC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4S/c1-17(30-16-18-7-3-2-4-8-18)22(26)24-11-13-25(14-12-24)23(27)21-15-28-19-9-5-6-10-20(19)29-21/h2-10,17,21H,11-16H2,1H3