2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(4-ethylbenzoyl)piperazino]ethanone Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O4S/c1-2-17-3-5-18(6-4-17)23(27)25-11-9-24(10-12-25)22(26)16-30-19-7-8-20-21(15-19)29-14-13-28-20/h3-8,15H,2,9-14,16H2,1H3