2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-(4-phenylpiperazino)ethanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H24N2O3S/c24-21(23-11-9-22(10-12-23)17-5-2-1-3-6-17)16-27-18-7-8-19-20(15-18)26-14-4-13-25-19/h1-3,5-8,15H,4,9-14,16H2