1-(azepan-1-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[3-(4-methyl-1-piperazinyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-(4-methylpiperazino)quinoxalin-2-yl]thio]ethanone Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N5OS/c1-24-12-14-26(15-13-24)20-21(23-18-9-5-4-8-17(18)22-20)28-16-19(27)25-10-6-2-3-7-11-25/h4-5,8-9H,2-3,6-7,10-16H2,1H3