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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(3-methylbenzyl)piperazino]ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O3S/c1-17-3-2-4-18(13-17)15-23-7-9-24(10-8-23)22(25)16-28-19-5-6-20-21(14-19)27-12-11-26-20/h2-6,13-14H,7-12,15-16H2,1H3