2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[2-(4-bromophenyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[2-(4-bromophenyl)quinazolin-4-yl]thio]ethanone Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN4O2S/c1-15(28)26-10-12-27(13-11-26)20(29)14-30-22-18-4-2-3-5-19(18)24-21(25-22)16-6-8-17(23)9-7-16/h2-9H,10-14H2,1H3