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

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepan-1-yl]-3-(methylthio)-1-propanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepan-1-yl]-3-(methylthio)propan-1-one Formula: C14H23N3O2S MolecularWeight: 297.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CCSC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)CCSC

InChI

InChI=1S/C14H23N3O2S/c1-12-10-13(15-19-12)11-16-5-3-6-17(8-7-16)14(18)4-9-20-2/h10H,3-9,11H2,1-2H3