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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-(4-p-anisylpiperazino)ethanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O4S/c1-26-18-4-2-17(3-5-18)15-23-8-10-24(11-9-23)22(25)16-29-19-6-7-20-21(14-19)28-13-12-27-20/h2-7,14H,8-13,15-16H2,1H3