1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]-2-(phenylthio)ethanone Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4S/c24-20(15-28-16-6-2-1-3-7-16)22-10-12-23(13-11-22)21(25)19-14-26-17-8-4-5-9-18(17)27-19/h1-9,19H,10-15H2/t19-/m1/s1