4-(2-methylsulfanylethanoyl)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-(2-methylsulfanylethanoyl)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(2-methylsulfanylacetyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[2-(methylthio)-1-oxoethyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-(2-methylsulfanylacetyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-[3-(2-ketopyrrolidino)propyl]-4-[2-(methylthio)acetyl]-1,4-diazepan-2-one Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CC(CN(C(=O)C1)CCCN2CCCC2=O)OCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CC(CN(C(=O)C1)CCCN2CCCC2=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O4S/c1-30-17-22(28)25-14-19(29-16-18-7-3-2-4-8-18)13-24(21(27)15-25)12-6-11-23-10-5-9-20(23)26/h2-4,7-8,19H,5-6,9-17H2,1H3