1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(quinazolin-4-ylthio)ethanone Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C23H24N4O3S2/c28-22(15-31-23-20-6-1-2-7-21(20)24-16-25-23)26-10-12-27(13-11-26)32(29,30)19-9-8-17-4-3-5-18(17)14-19/h1-2,6-9,14,16H,3-5,10-13,15H2