(4-methyl-1,4-diazepan-1-yl)-(2-pentylsulfanylpyridin-3-yl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-1-yl)-(2-pentylsulfanylpyridin-3-yl)methanone Openeye Name: (4-methyl-1,4-diazepan-1-yl)-(2-pentylsulfanyl-3-pyridyl)methanone CAS Name: (4-methyl-1,4-diazepan-1-yl)-[2-(pentylthio)-3-pyridinyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-1-yl)-(2-pentylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(amylthio)-3-pyridyl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C17H27N3OS MolecularWeight: 321.48078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)N2CCCN(CC2)C

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N2CCCN(CC2)C

InChI

InChI=1S/C17H27N3OS/c1-3-4-5-14-22-16-15(8-6-9-18-16)17(21)20-11-7-10-19(2)12-13-20/h6,8-9H,3-5,7,10-14H2,1-2H3