1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-3-(methylthio)-1-propanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-3-(methylthio)propan-1-one Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CCSC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CCSC

InChI

InChI=1S/C16H25N3OS/c1-14-5-3-6-15(17-14)13-18-8-4-9-19(11-10-18)16(20)7-12-21-2/h3,5-6H,4,7-13H2,1-2H3