2-methyl-1-(2-phenylsulfanylethanoyl)-1,4-diazepan-5-one

Systemtic Name: 2-methyl-1-(2-phenylsulfanylethanoyl)-1,4-diazepan-5-one Openeye Name: 2-methyl-1-(2-phenylsulfanylacetyl)-1,4-diazepan-5-one CAS Name: 2-methyl-1-[1-oxo-2-(phenylthio)ethyl]-1,4-diazepan-5-one IUPAC Name: 2-methyl-1-(2-phenylsulfanylacetyl)-1,4-diazepan-5-one Traditional Name: 2-methyl-1-[2-(phenylthio)acetyl]-1,4-diazepan-5-one Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)CCN1C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1CNC(=O)CCN1C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S/c1-11-9-15-13(17)7-8-16(11)14(18)10-19-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17)