2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-1-one CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)propan-1-one Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC4=C(C=C3)OCCO4

InChI

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