3-methylsulfanyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(methylthio)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCN(CC1)CC2=NOC(=N2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CCCN(CC1)CC2=NOC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-25-13-8-17(23)22-10-5-9-21(11-12-22)14-16-19-18(24-20-16)15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3