1-[4-[(3-phenyl-1,4-benzodioxin-2-yl)methylsulfanylmethyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[(3-phenyl-1,4-benzodioxin-2-yl)methylsulfanylmethyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[(3-phenyl-1,4-benzodioxin-2-yl)methylsulfanylmethyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[(3-phenyl-1,4-benzodioxin-2-yl)methylthio]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(3-phenyl-1,4-benzodioxin-2-yl)methylsulfanylmethyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[(3-phenyl-1,4-benzodioxin-2-yl)methylthio]methyl]piperazino]ethanone Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CSCC2=C(OC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)CSCC2=C(OC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3S/c1-17(25)24-13-11-23(12-14-24)16-28-15-21-22(18-7-3-2-4-8-18)27-20-10-6-5-9-19(20)26-21/h2-10H,11-16H2,1H3