1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H23N5O2S/c1-15-11-16(23-27-15)13-24-7-4-8-25(10-9-24)20(26)14-28-19-12-21-17-5-2-3-6-18(17)22-19/h2-3,5-6,11-12H,4,7-10,13-14H2,1H3