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

Systemtic Name: 4-(4-methylsulfanylphenyl)carbonyl-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(4-methylsulfanylbenzoyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[[4-(methylthio)phenyl]-oxomethyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-(4-methylsulfanylbenzoyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-[3-(2-ketopyrrolidino)propyl]-4-[4-(methylthio)benzoyl]-1,4-diazepan-2-one Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c1-35-24-12-10-22(11-13-24)27(33)30-18-23(34-20-21-7-3-2-4-8-21)17-29(26(32)19-30)16-6-15-28-14-5-9-25(28)31/h2-4,7-8,10-13,23H,5-6,9,14-20H2,1H3