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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(phenylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzoylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone CAS Name: 1-(4-benzoyl-1-piperazinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-benzoylpiperazino)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O4S/c24-20(15-28-17-6-7-18-19(14-17)27-13-12-26-18)22-8-10-23(11-9-22)21(25)16-4-2-1-3-5-16/h1-7,14H,8-13,15H2