1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(2-quinoxalinylthio)ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-quinoxalin-2-ylsulfanylethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-(quinoxalin-2-ylthio)ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H25N5OS/c1-17-6-4-7-18(24-17)15-26-10-5-11-27(13-12-26)22(28)16-29-21-14-23-19-8-2-3-9-20(19)25-21/h2-4,6-9,14H,5,10-13,15-16H2,1H3