2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O4S/c1-26-18-5-3-17(4-6-18)23-9-11-24(12-10-23)22(25)16-29-19-7-8-20-21(15-19)28-14-2-13-27-20/h3-8,15H,2,9-14,16H2,1H3