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

Systemtic Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Openeye Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone CAS Name: 1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone IUPAC Name: 1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylsulfanyl)ethanone Traditional Name: 1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-2-(2-phenoxyethylthio)ethanone Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S/c1-19-7-5-8-20(23-19)17-24-11-6-12-25(14-13-24)22(26)18-28-16-15-27-21-9-3-2-4-10-21/h2-5,7-10H,6,11-18H2,1H3