2-butylsulfanyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone

Systemtic Name: 2-butylsulfanyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone Openeye Name: 2-butylsulfanyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone CAS Name: 2-(butylthio)-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone IUPAC Name: 2-butylsulfanyl-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone Traditional Name: 2-(butylthio)-1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)ethanone Formula: C18H24N4OS MolecularWeight: 344.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1CCCN(C2=NC3=CC=CC=C3N=C21)C

Isomeric SMILES

CCCCSCC(=O)N1CCCN(C2=NC3=CC=CC=C3N=C21)C

InChI

InChI=1S/C18H24N4OS/c1-3-4-12-24-13-16(23)22-11-7-10-21(2)17-18(22)20-15-9-6-5-8-14(15)19-17/h5-6,8-9H,3-4,7,10-13H2,1-2H3