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

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H22N4O4S/c28-21(14-32-22-16-5-1-2-6-17(16)24-15-25-22)26-9-11-27(12-10-26)23(29)20-13-30-18-7-3-4-8-19(18)31-20/h1-8,15,20H,9-14H2