1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylquinoxalin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylquinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylquinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]quinoxalin-2-yl]thio]ethanone Formula: C24H32N4O2S2 MolecularWeight: 472.66648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N4O2S2/c29-21(27-13-7-1-2-8-14-27)17-31-23-24(26-20-12-6-5-11-19(20)25-23)32-18-22(30)28-15-9-3-4-10-16-28/h5-6,11-12H,1-4,7-10,13-18H2